 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer04_STD_wB97XD_augccpVDZ.in
 Output=11_L-cysteine_conformer04_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-258250.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    258255.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=11_L-cysteine_conformer04_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:05:45 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer04_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.758678000000     -0.589468000000     -0.423124000000
  S                                                -2.509414000000     -0.170412000000     -0.127352000000
  C                                                 0.230755000000      0.153880000000      0.481215000000
  N                                                 0.111160000000      1.599705000000      0.307949000000
  C                                                 1.641223000000     -0.310717000000      0.078875000000
  O                                                 2.078876000000     -1.387971000000      0.375233000000
  O                                                 2.308644000000      0.576119000000     -0.667920000000
  H                                                 0.075206000000     -0.177318000000      1.512130000000
  H                                                -0.583618000000     -0.319599000000     -1.466171000000
  H                                                -0.606490000000     -1.660802000000     -0.322380000000
  H                                                 1.722486000000      1.364748000000     -0.723967000000
  H                                                -0.858059000000      1.853431000000      0.144847000000
  H                                                 0.421765000000      2.097683000000      1.133359000000
  H                                                -2.578746000000     -0.656838000000      1.123866000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:05:46 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.758678   -0.589468   -0.423124
      2         16           0       -2.509414   -0.170412   -0.127352
      3          6           0        0.230755    0.153880    0.481215
      4          7           0        0.111160    1.599705    0.307949
      5          6           0        1.641223   -0.310717    0.078875
      6          8           0        2.078876   -1.387971    0.375233
      7          8           0        2.308644    0.576119   -0.667920
      8          1           0        0.075206   -0.177318    1.512130
      9          1           0       -0.583618   -0.319599   -1.466171
     10          1           0       -0.606490   -1.660802   -0.322380
     11          1           0        1.722486    1.364748   -0.723967
     12          1           0       -0.858059    1.853431    0.144847
     13          1           0        0.421765    2.097683    1.133359
     14          1           0       -2.578746   -0.656838    1.123866
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.824326   0.000000
     3  C    1.532766   2.825605   0.000000
     4  N    2.466488   3.192211   1.461073   0.000000
     5  C    2.467637   4.158125   1.538554   2.458308   0.000000
     6  O    3.053964   4.773620   2.409167   3.578078   1.199935
     7  O    3.290438   4.905426   2.411725   2.613233   1.337771
     8  H    2.147193   3.060753   1.093926   2.146894   2.127069
     9  H    1.091523   2.350188   2.163261   2.704431   2.708720
    10  H    1.086769   2.424957   2.154023   3.397535   2.652536
    11  H    3.172640   4.541106   2.268023   1.927804   1.859662
    12  H    2.510025   2.626215   2.046249   1.015069   3.306705
    13  H    3.322178   3.914774   2.059162   1.012798   2.898173
    14  H    2.389637   1.344233   2.993920   3.604622   4.361186
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.235757   0.000000
     8  H    2.602481   3.210690   0.000000
     9  H    3.408968   3.131245   3.053616   0.000000
    10  H    2.787883   3.690694   2.455781   1.762840   0.000000
    11  H    2.985417   0.984204   3.176732   2.950594   3.839187
    12  H    4.380109   3.510003   2.619998   2.718962   3.554071
    13  H    3.933263   3.019946   2.332209   3.689391   4.159651
    14  H    4.773725   5.349510   2.724729   3.286724   2.643741
                   11         12         13         14
    11  H    0.000000
    12  H    2.766381   0.000000
    13  H    2.383008   1.635471   0.000000
    14  H    5.099205   3.196982   4.073149   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.758678   -0.589468   -0.423124
      2         16           0       -2.509414   -0.170412   -0.127352
      3          6           0        0.230755    0.153880    0.481215
      4          7           0        0.111160    1.599705    0.307949
      5          6           0        1.641223   -0.310717    0.078875
      6          8           0        2.078876   -1.387971    0.375233
      7          8           0        2.308644    0.576119   -0.667920
      8          1           0        0.075206   -0.177318    1.512130
      9          1           0       -0.583618   -0.319599   -1.466171
     10          1           0       -0.606490   -1.660802   -0.322380
     11          1           0        1.722486    1.364748   -0.723967
     12          1           0       -0.858059    1.853431    0.144847
     13          1           0        0.421765    2.097683    1.133359
     14          1           0       -2.578746   -0.656838    1.123866
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.3792587           1.1726503           1.0134658
 Leave Link  202 at Thu Aug 12 22:05:46 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       376.0605128178 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0069313158 Hartrees.
 Nuclear repulsion after empirical dispersion term =      376.0535815021 Hartrees.
 Leave Link  301 at Thu Aug 12 22:05:47 2021, MaxMem=  5368709120 cpu:              11.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.44D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 22:05:47 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:05:48 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer04_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:05:48 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368587670 LenY=  5368528665
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -721.887957471500    
 DIIS: error= 5.03D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -721.887957471500     IErMin= 1 ErrMin= 5.03D-03
 ErrMax= 5.03D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.34D-03 BMatP= 7.34D-03
 IDIUse=3 WtCom= 9.50D-01 WtEn= 5.03D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.404 Goal=   None    Shift=    0.000
 GapD=    0.404 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=7.28D-03 MaxDP=2.54D-01              OVMax= 1.47D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.27D-03    CP:  9.82D-01
 E= -721.893271580850     Delta-E=       -0.005314109350 Rises=F Damp=F
 DIIS: error= 3.66D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -721.893271580850     IErMin= 2 ErrMin= 3.66D-04
 ErrMax= 3.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-04 BMatP= 7.34D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.66D-03
 Coeff-Com: -0.249D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.248D-01 0.102D+01
 Gap=     0.370 Goal=   None    Shift=    0.000
 RMSDP=1.02D-03 MaxDP=4.59D-02 DE=-5.31D-03 OVMax= 5.37D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.98D-04    CP:  9.79D-01  1.12D+00
 E= -721.893437737112     Delta-E=       -0.000166156262 Rises=F Damp=F
 DIIS: error= 3.86D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -721.893437737112     IErMin= 2 ErrMin= 3.66D-04
 ErrMax= 3.86D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-04 BMatP= 1.48D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.86D-03
 Coeff-Com: -0.327D-01 0.474D+00 0.559D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.326D-01 0.472D+00 0.561D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.26D-04 MaxDP=5.46D-03 DE=-1.66D-04 OVMax= 1.82D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.09D-05    CP:  9.78D-01  1.13D+00  1.10D+00
 E= -721.893515519549     Delta-E=       -0.000077782438 Rises=F Damp=F
 DIIS: error= 8.92D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -721.893515519549     IErMin= 4 ErrMin= 8.92D-05
 ErrMax= 8.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.07D-06 BMatP= 1.07D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.522D-02-0.671D-02 0.147D+00 0.865D+00
 Coeff:     -0.522D-02-0.671D-02 0.147D+00 0.865D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=8.37D-05 MaxDP=4.01D-03 DE=-7.78D-05 OVMax= 7.50D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.31D-05    CP:  9.77D-01  1.14D+00  1.21D+00  1.25D+00
 E= -721.893521052802     Delta-E=       -0.000005533253 Rises=F Damp=F
 DIIS: error= 3.39D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -721.893521052802     IErMin= 5 ErrMin= 3.39D-05
 ErrMax= 3.39D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-06 BMatP= 5.07D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-02-0.530D-01 0.439D-02 0.394D+00 0.653D+00
 Coeff:      0.120D-02-0.530D-01 0.439D-02 0.394D+00 0.653D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.43D-05 MaxDP=1.37D-03 DE=-5.53D-06 OVMax= 3.36D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.34D-05    CP:  9.77D-01  1.14D+00  1.23D+00  1.37D+00  1.22D+00
 E= -721.893522261706     Delta-E=       -0.000001208904 Rises=F Damp=F
 DIIS: error= 9.36D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -721.893522261706     IErMin= 6 ErrMin= 9.36D-06
 ErrMax= 9.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-07 BMatP= 1.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.983D-03-0.211D-01-0.123D-01 0.790D-01 0.276D+00 0.678D+00
 Coeff:      0.983D-03-0.211D-01-0.123D-01 0.790D-01 0.276D+00 0.678D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=7.18D-06 MaxDP=5.19D-04 DE=-1.21D-06 OVMax= 1.18D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.26D-06    CP:  9.77D-01  1.14D+00  1.24D+00  1.40D+00  1.32D+00
                    CP:  1.15D+00
 E= -721.893522367506     Delta-E=       -0.000000105799 Rises=F Damp=F
 DIIS: error= 4.21D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -721.893522367506     IErMin= 7 ErrMin= 4.21D-06
 ErrMax= 4.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-08 BMatP= 1.11D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.151D-03 0.173D-02-0.576D-02-0.458D-01-0.539D-02 0.305D+00
 Coeff-Com:  0.750D+00
 Coeff:      0.151D-03 0.173D-02-0.576D-02-0.458D-01-0.539D-02 0.305D+00
 Coeff:      0.750D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=3.76D-06 MaxDP=1.91D-04 DE=-1.06D-07 OVMax= 5.54D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.76D-06    CP:  9.77D-01  1.14D+00  1.24D+00  1.42D+00  1.37D+00
                    CP:  1.25D+00  1.26D+00
 E= -721.893522389575     Delta-E=       -0.000000022070 Rises=F Damp=F
 DIIS: error= 9.95D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -721.893522389575     IErMin= 8 ErrMin= 9.95D-07
 ErrMax= 9.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-09 BMatP= 1.85D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.226D-04 0.217D-02-0.820D-03-0.211D-01-0.229D-01 0.381D-01
 Coeff-Com:  0.243D+00 0.761D+00
 Coeff:     -0.226D-04 0.217D-02-0.820D-03-0.211D-01-0.229D-01 0.381D-01
 Coeff:      0.243D+00 0.761D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.10D-06 MaxDP=5.17D-05 DE=-2.21D-08 OVMax= 1.62D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.31D-07    CP:  9.77D-01  1.14D+00  1.24D+00  1.42D+00  1.38D+00
                    CP:  1.27D+00  1.39D+00  1.26D+00
 E= -721.893522391032     Delta-E=       -0.000000001457 Rises=F Damp=F
 DIIS: error= 3.88D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -721.893522391032     IErMin= 9 ErrMin= 3.88D-07
 ErrMax= 3.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-10 BMatP= 1.08D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.258D-04 0.517D-03 0.450D-03-0.172D-02-0.708D-02-0.262D-01
 Coeff-Com: -0.472D-02 0.246D+00 0.793D+00
 Coeff:     -0.258D-04 0.517D-03 0.450D-03-0.172D-02-0.708D-02-0.262D-01
 Coeff:     -0.472D-02 0.246D+00 0.793D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.01D-07 MaxDP=1.82D-05 DE=-1.46D-09 OVMax= 7.49D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.42D-07    CP:  9.77D-01  1.14D+00  1.24D+00  1.42D+00  1.38D+00
                    CP:  1.28D+00  1.45D+00  1.38D+00  1.08D+00
 E= -721.893522391215     Delta-E=       -0.000000000183 Rises=F Damp=F
 DIIS: error= 9.62D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -721.893522391215     IErMin=10 ErrMin= 9.62D-08
 ErrMax= 9.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.48D-12 BMatP= 1.14D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.395D-05-0.666D-04 0.160D-03 0.141D-02 0.590D-03-0.873D-02
 Coeff-Com: -0.195D-01-0.180D-01 0.154D+00 0.890D+00
 Coeff:     -0.395D-05-0.666D-04 0.160D-03 0.141D-02 0.590D-03-0.873D-02
 Coeff:     -0.195D-01-0.180D-01 0.154D+00 0.890D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.15D-07 MaxDP=4.65D-06 DE=-1.83D-10 OVMax= 2.19D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.30D-08    CP:  9.77D-01  1.14D+00  1.24D+00  1.42D+00  1.38D+00
                    CP:  1.28D+00  1.46D+00  1.41D+00  1.17D+00  1.25D+00
 E= -721.893522391201     Delta-E=        0.000000000015 Rises=F Damp=F
 DIIS: error= 3.41D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -721.893522391215     IErMin=11 ErrMin= 3.41D-08
 ErrMax= 3.41D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.51D-13 BMatP= 6.48D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.152D-05-0.637D-04-0.109D-04 0.494D-03 0.854D-03 0.105D-03
 Coeff-Com: -0.410D-02-0.259D-01-0.355D-01 0.204D+00 0.860D+00
 Coeff:      0.152D-05-0.637D-04-0.109D-04 0.494D-03 0.854D-03 0.105D-03
 Coeff:     -0.410D-02-0.259D-01-0.355D-01 0.204D+00 0.860D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.84D-08 MaxDP=1.03D-06 DE= 1.48D-11 OVMax= 7.32D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.41D-08    CP:  9.77D-01  1.14D+00  1.24D+00  1.42D+00  1.38D+00
                    CP:  1.28D+00  1.46D+00  1.41D+00  1.19D+00  1.35D+00
                    CP:  1.20D+00
 E= -721.893522391218     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 8.39D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -721.893522391218     IErMin=12 ErrMin= 8.39D-09
 ErrMax= 8.39D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.66D-14 BMatP= 6.51D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.566D-06-0.249D-05-0.188D-04-0.748D-04 0.930D-04 0.783D-03
 Coeff-Com:  0.140D-02-0.116D-02-0.187D-01-0.580D-01 0.984D-01 0.977D+00
 Coeff:      0.566D-06-0.249D-05-0.188D-04-0.748D-04 0.930D-04 0.783D-03
 Coeff:      0.140D-02-0.116D-02-0.187D-01-0.580D-01 0.984D-01 0.977D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.01D-08 MaxDP=6.78D-07 DE=-1.77D-11 OVMax= 3.02D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  3.74D-09    CP:  9.77D-01  1.14D+00  1.24D+00  1.42D+00  1.38D+00
                    CP:  1.28D+00  1.46D+00  1.41D+00  1.20D+00  1.38D+00
                    CP:  1.32D+00  1.20D+00
 E= -721.893522391225     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 3.15D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -721.893522391225     IErMin=13 ErrMin= 3.15D-09
 ErrMax= 3.15D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.85D-15 BMatP= 5.66D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.734D-07 0.781D-05-0.298D-05-0.796D-04-0.819D-04 0.184D-03
 Coeff-Com:  0.846D-03 0.264D-02-0.126D-02-0.385D-01-0.692D-01 0.248D+00
 Coeff-Com:  0.858D+00
 Coeff:     -0.734D-07 0.781D-05-0.298D-05-0.796D-04-0.819D-04 0.184D-03
 Coeff:      0.846D-03 0.264D-02-0.126D-02-0.385D-01-0.692D-01 0.248D+00
 Coeff:      0.858D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.75D-09 MaxDP=1.76D-07 DE=-7.05D-12 OVMax= 1.09D-07

 SCF Done:  E(RwB97XD) =  -721.893522391     A.U. after   13 cycles
            NFock= 13  Conv=0.27D-08     -V/T= 2.0040
 KE= 7.190144755574D+02 PE=-2.455985627858D+03 EE= 6.390240484073D+02
 Leave Link  502 at Thu Aug 12 22:06:52 2021, MaxMem=  5368709120 cpu:             512.1 elap:              64.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.56693154D+02

 Leave Link  801 at Thu Aug 12 22:06:53 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4313 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 2.13D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 1.90D-01 1.03D-01.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 3.43D-02 2.77D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 2.69D-03 1.20D-02.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 1.08D-04 2.12D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 3.58D-06 2.60D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 1.13D-07 4.46D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 2.07D-09 6.35D-06.
     11 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 3.80D-11 1.04D-06.
      9 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 5.64D-13 1.40D-07.
      1 vectors produced by pass 10 Test12= 1.05D-13 8.33D-09 XBig12= 7.50D-15 1.30D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.912064D+02
      2 -0.922016D+00  0.751931D+02
      3 -0.239305D+01 -0.220816D+01  0.637924D+02
 Isotropic polarizability for W=    0.088559       76.73 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.974055D+02 -0.180853D+02 -0.154222D+02
      2   0.556709D+02  0.136211D+02  0.452738D+01
      3   0.417345D+02  0.446426D+01  0.108948D+02
      4  -0.215957D+02 -0.130777D+02 -0.178081D+02
      5  -0.586762D+01 -0.186667D+02 -0.459897D+02
      6  -0.456079D+01  0.124869D+02  0.202890D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.379261D+01  0.131008D+01 -0.122646D+01
      2   0.391628D+00 -0.842152D+01 -0.291285D+02
      3   0.827779D+01  0.152689D+02  0.656508D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.858553D+00  0.795953D+01  0.243536D+01
      2  -0.955460D+01 -0.132473D+02 -0.877242D+02
      3  -0.351040D+01  0.687487D+02  0.141059D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.114286D+01 -0.624812D+00 -0.189721D+01
      2  -0.624812D+00  0.186701D+01  0.109296D+01
      3  -0.189721D+01  0.109296D+01  0.121201D+01
 OR G Eigenvalues:    -2.1984     0.7926     3.3419  Iso=    -0.6454
 Eigenvectors:
   (1)   0.874410   0.003952   0.485172
   (2)   0.312353   0.760603  -0.569139
   (3)  -0.371273   0.649205   0.663844
 w=    0.088559 a.u., Optical Rotation Beta=     -0.6454 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =     -270.12 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 9.58D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.65D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 3.87D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 2.27D-02 3.13D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 5.02D-04 3.89D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 5.79D-06 3.68D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 8.73D-08 5.28D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 1.11D-09 3.95D-06.
     30 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 8.45D-12 4.04D-07.
     30 vectors produced by pass  7 Test12= 1.74D-14 2.78D-09 XBig12= 5.18D-14 2.37D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 3.21D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 3.21D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.92D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.912064D+02 -0.922016D+00 -0.239305D+01
      2  -0.922016D+00  0.751931D+02 -0.220816D+01
      3  -0.239305D+01 -0.220816D+01  0.637924D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.379261D+01  0.131008D+01 -0.122646D+01
      2   0.391628D+00 -0.842152D+01 -0.291285D+02
      3   0.827779D+01  0.152689D+02  0.656508D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.974055D+02 -0.180853D+02 -0.154222D+02
      2   0.556709D+02  0.136211D+02  0.452738D+01
      3   0.417345D+02  0.446426D+01  0.108948D+02
      4  -0.215957D+02 -0.130777D+02 -0.178081D+02
      5  -0.586762D+01 -0.186667D+02 -0.459897D+02
      6  -0.456079D+01  0.124869D+02  0.202890D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103299D+02 -0.218267D+01 -0.134256D+01 -0.532033D+01 -0.230114D+01
      2  -0.218267D+01  0.156427D+00  0.205710D+00 -0.230114D+01  0.380753D+01
      3  -0.134256D+01  0.205710D+00 -0.553299D+00 -0.579382D+00 -0.718880D-01
                 6             7             8             9            10 
      1  -0.579382D+00 -0.435241D+01 -0.296083D+00 -0.153938D+01 -0.178998D+02
      2  -0.718880D-01 -0.296083D+00 -0.123140D+01 -0.104431D+01  0.174207D+01
      3  -0.168335D+01 -0.153938D+01 -0.104431D+01  0.477064D+01 -0.300292D+00
                11            12            13            14            15 
      1   0.174207D+01 -0.300292D+00  0.412134D+01 -0.333292D+01  0.174106D-01
      2  -0.277156D+01 -0.515565D+00 -0.333292D+01  0.129361D+00 -0.862394D+00
      3  -0.515565D+00 -0.106465D+01  0.174106D-01 -0.862394D+00  0.290736D+01
                16            17            18            19            20 
      1  -0.998413D+00 -0.263453D+00 -0.241146D+01 -0.143178D+01  0.142052D+01
      2  -0.263453D+00 -0.160469D+01  0.248290D+01  0.142052D+01  0.770265D+00
      3  -0.241146D+01  0.248290D+01 -0.696945D+01  0.128896D+01 -0.229879D+00
                21            22            23            24            25 
      1   0.128896D+01  0.490688D+01  0.603703D+00  0.446666D+00  0.493080D+01
      2  -0.229879D+00  0.603703D+00 -0.205121D+01 -0.624363D+00 -0.130672D+00
      3   0.944699D+00  0.446666D+00 -0.624363D+00  0.209006D+01  0.154075D+01
                26            27            28            29            30 
      1  -0.130672D+00  0.154075D+01  0.507840D+01  0.289264D+00 -0.289893D+00
      2  -0.206393D+00  0.305261D+01  0.289264D+00  0.960687D+00  0.171915D+00
      3   0.305261D+01 -0.494266D+01 -0.289893D+00  0.171915D+00 -0.143637D+01
                31            32            33            34            35 
      1  -0.150659D+01  0.355206D-01 -0.724952D+00 -0.460254D+00 -0.754466D+00
      2   0.355206D-01  0.289636D+01 -0.126709D+01 -0.754466D+00 -0.277745D+01
      3  -0.724952D+00 -0.126709D+01 -0.172355D+01 -0.153781D+01 -0.207308D+01
                36            37            38            39            40 
      1  -0.153781D+01  0.243194D+01 -0.750950D-01 -0.872620D+00  0.141376D+01
      2  -0.207308D+01 -0.750950D-01 -0.138102D+01  0.146616D+01 -0.319249D+01
      3  -0.199685D+01 -0.872620D+00  0.146616D+01  0.111255D+00  0.142694D+01
                41            42            43            44            45 
      1  -0.319249D+01  0.142694D+01 -0.850309D+00  0.187676D+01 -0.467588D+00
      2   0.473996D+01 -0.820559D+00  0.187676D+01 -0.114784D+01 -0.465641D+00
      3  -0.820559D+00  0.149252D+00 -0.467588D+00 -0.465641D+00  0.490257D+00
                46            47            48            49            50 
      1   0.464261D+01 -0.405614D+01  0.143124D+01 -0.587469D+01  0.424091D+01
      2  -0.405614D+01  0.299932D+01 -0.104706D+01  0.424091D+01 -0.108624D+02
      3   0.143124D+01 -0.104706D+01  0.915057D+00 -0.716714D+00  0.178206D+01
                51            52            53            54            55 
      1  -0.716714D+00  0.161206D+01 -0.868662D+00  0.204308D+01  0.625363D+01
      2   0.178206D+01 -0.868662D+00  0.133922D+01 -0.282395D+01  0.110642D+01
      3  -0.236948D+01  0.204308D+01 -0.282395D+01  0.219758D+01 -0.239560D+01
                56            57            58            59            60 
      1   0.110642D+01 -0.239560D+01 -0.147713D+01  0.368127D+01  0.397995D+00
      2   0.257425D+01 -0.536979D+00  0.368127D+01 -0.497197D+00 -0.668213D+00
      3  -0.536979D+00  0.144151D+01  0.397995D+00 -0.668213D+00  0.148548D-01
                61            62            63            64            65 
      1  -0.238903D+01 -0.931621D+00  0.181301D+01 -0.501387D+00 -0.711823D+00
      2  -0.931621D+00 -0.114567D+00  0.119823D+01 -0.711823D+00 -0.388693D+00
      3   0.181301D+01  0.119823D+01 -0.277152D+01  0.882849D+00  0.771024D-01
                66            67            68            69            70 
      1   0.882849D+00 -0.134600D+01 -0.358253D+00  0.128074D-02  0.957168D+00
      2   0.771024D-01 -0.358253D+00 -0.109080D+01  0.146045D+01  0.972443D-01
      3  -0.860116D+00  0.128074D-02  0.146045D+01 -0.170872D+01 -0.244893D+00
                71            72            73            74            75 
      1   0.972443D-01 -0.244893D+00 -0.404990D+00  0.403078D+00 -0.708614D+00
      2   0.212320D+01 -0.187173D+01  0.403078D+00  0.111111D+00  0.167246D-01
      3  -0.187173D+01  0.696140D+01 -0.708614D+00  0.167246D-01  0.838295D+00
                76            77            78            79            80 
      1   0.156240D+01  0.483800D+00 -0.132139D+00 -0.183243D+01 -0.127020D+00
      2   0.483800D+00  0.920006D-01 -0.889153D+00 -0.127020D+00 -0.984689D+00
      3  -0.132139D+00 -0.889153D+00  0.142669D+01  0.108760D+01  0.196890D-01
                81            82            83            84            85 
      1   0.108760D+01  0.229910D+00 -0.700087D+00  0.159371D+00 -0.253748D+01
      2   0.196890D-01 -0.700087D+00  0.440613D+00  0.915869D-01  0.160643D+01
      3  -0.733449D+01  0.159371D+00  0.915869D-01  0.195714D+00  0.224197D+00
                86            87            88            89            90 
      1   0.160643D+01  0.224197D+00  0.119376D+01 -0.681081D-01  0.370500D+00
      2  -0.681769D+01 -0.707064D+00 -0.681081D-01  0.388701D+00 -0.753413D+00
      3  -0.707064D+00 -0.797375D+00  0.370500D+00 -0.753413D+00 -0.377220D+00
                91            92            93            94            95 
      1  -0.219660D+01  0.164879D+01  0.962351D+00  0.392194D+01 -0.473762D+00
      2   0.164879D+01 -0.102855D+01 -0.865762D-01 -0.473762D+00  0.415388D+01
      3   0.962351D+00 -0.865762D-01 -0.308095D+00 -0.117260D+01 -0.885756D+00
                96            97            98            99           100 
      1  -0.117260D+01  0.465154D-01 -0.228145D+00  0.308531D+00 -0.640917D+01
      2  -0.885756D+00 -0.228145D+00 -0.972966D+00  0.858506D+00  0.710644D+00
      3   0.150774D+01  0.308531D+00  0.858506D+00 -0.143046D+01 -0.643750D+00
               101           102           103           104           105 
      1   0.710644D+00 -0.643750D+00  0.226824D+01 -0.117670D+01 -0.125008D+00
      2  -0.334874D+01 -0.293881D+00 -0.117670D+01  0.242912D+01  0.181242D+00
      3  -0.293881D+00 -0.675202D+00 -0.125008D+00  0.181242D+00  0.719739D+00
               106           107           108           109           110 
      1  -0.136198D+01 -0.772998D-01  0.283417D-01  0.948436D+00  0.891087D+00
      2  -0.772998D-01 -0.277737D+00  0.725513D+00  0.891087D+00  0.123005D+01
      3   0.283417D-01  0.725513D+00 -0.135390D+00  0.693374D+00  0.602307D+00
               111           112           113           114           115 
      1   0.693374D+00  0.847930D+00  0.814961D+00  0.497989D+00  0.117628D+01
      2   0.602307D+00  0.814961D+00  0.377910D+01  0.217986D+01  0.105319D+01
      3   0.163365D+01  0.497989D+00  0.217986D+01  0.248314D+01  0.133622D+01
               116           117           118           119           120 
      1   0.105319D+01  0.133622D+01 -0.107106D+01 -0.486049D+00  0.113519D+01
      2   0.348914D+01  0.326629D+01 -0.486049D+00 -0.324154D+00  0.784371D-01
      3   0.326629D+01  0.363436D+01  0.113519D+01  0.784371D-01 -0.118245D+01
               121           122           123           124           125 
      1  -0.980257D+00 -0.631336D+00  0.438321D+00  0.232825D+01  0.718329D+00
      2  -0.631336D+00 -0.707995D+00  0.119288D+01  0.718329D+00  0.197749D+01
      3   0.438321D+00  0.119288D+01 -0.301634D+01 -0.232690D+01 -0.257162D+01
               126 
      1  -0.232690D+01
      2  -0.257162D+01
      3   0.790379D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.303973D+00 -0.384104D-01  0.621892D+00  0.663511D+00 -0.406871D+01
      2   0.480676D+01 -0.178483D+01  0.230024D+00  0.196703D+00 -0.600923D+00
      3  -0.557604D+01  0.538814D+01  0.243362D+01  0.114632D+02  0.463437D+01
                 6             7             8             9            10 
      1  -0.416274D+01 -0.154125D+01  0.161909D+01  0.468835D+01 -0.780005D+00
      2   0.782381D+00 -0.995661D+01  0.106295D+01 -0.313270D+01 -0.478176D+01
      3   0.180257D-01  0.995703D+00 -0.114408D+01  0.169990D+00  0.121651D+02
                11            12            13            14            15 
      1   0.115096D+01 -0.138030D+01  0.303626D+01 -0.177795D+00 -0.815374D+01
      2   0.147914D+01  0.808772D+01 -0.106918D+01  0.123366D+01 -0.741192D+01
      3  -0.132696D+02 -0.167933D+01  0.769878D+01  0.195253D+01 -0.254738D+01
                16            17            18            19            20 
      1  -0.502710D+00  0.708579D+01 -0.166352D+01 -0.350630D-01  0.237621D+00
      2  -0.937761D+01 -0.784247D+01  0.203594D+02  0.106193D+02  0.534886D+00
      3   0.426935D+00 -0.546442D+01  0.808387D+01 -0.514057D+01 -0.807858D+01
                21            22            23            24            25 
      1  -0.123196D+00 -0.339248D+01 -0.158515D+01  0.159430D+01  0.844754D-01
      2   0.474438D+01  0.622092D-01 -0.573955D+00 -0.852828D+00 -0.458589D+01
      3  -0.137798D+01 -0.305450D+00  0.136278D+01  0.267328D+01 -0.169019D+01
                26            27            28            29            30 
      1   0.321331D+01  0.639585D+00 -0.301222D+00  0.585788D+00  0.233556D+01
      2   0.163652D+01 -0.326566D+01 -0.165211D+01 -0.395339D+00  0.262017D+01
      3   0.138494D+01 -0.882455D+00  0.178310D+02 -0.424496D+01  0.111769D+01
                31            32            33            34            35 
      1   0.200755D+01  0.643061D+01 -0.202864D+01  0.307301D+01  0.827342D+01
      2  -0.458061D+00 -0.407849D+00  0.268001D+00 -0.372710D+01  0.226840D-01
      3   0.709795D+00 -0.207250D+01 -0.129190D+01  0.115780D+01 -0.158378D+00
                36            37            38            39            40 
      1   0.512480D+01  0.152999D+01  0.169887D+01 -0.297629D+01  0.180923D+01
      2  -0.586370D+00 -0.120987D+02  0.178452D+00 -0.408426D+01 -0.364387D+01
      3  -0.345422D+01  0.887468D+01  0.293824D+01 -0.514527D+00  0.717805D+01
                41            42            43            44            45 
      1   0.638898D+01  0.471990D+01 -0.213948D+00  0.593914D+01 -0.661830D+01
      2  -0.745802D+00  0.434267D+01 -0.151545D+02  0.161210D+01  0.659089D+01
      3  -0.135062D+02 -0.156024D+01  0.154213D+01 -0.295266D+01 -0.696305D+00
                46            47            48            49            50 
      1  -0.311794D+00  0.857219D+00  0.409521D+01  0.677629D+00 -0.288312D+01
      2   0.255762D+01 -0.830094D+00  0.653040D+01  0.428452D+01  0.247928D+01
      3   0.176171D+00 -0.838604D+01  0.143892D+01  0.376212D+01  0.213067D+02
                51            52            53            54            55 
      1  -0.912426D+01  0.566254D-01  0.188192D+01  0.250816D+01  0.227351D+01
      2  -0.708393D+01  0.320239D+01 -0.551692D+01  0.291518D+01  0.226055D+01
      3  -0.234848D+01  0.359365D-01 -0.146533D+01  0.538561D+01  0.545879D+01
                56            57            58            59            60 
      1  -0.487335D+01 -0.222812D+01 -0.493178D+01  0.230450D+01 -0.205237D+01
      2  -0.281228D+01  0.732692D+01 -0.822905D+00  0.904196D+00  0.228536D+00
      3  -0.147319D+02 -0.998426D-01 -0.119653D+02  0.564003D+01  0.321967D+01
                61            62            63            64            65 
      1  -0.947685D+00  0.309859D+01  0.191276D+01 -0.231662D+00 -0.664277D+00
      2   0.440803D+01  0.165449D+01 -0.806635D+01  0.761653D+00  0.211946D+00
      3  -0.141829D+01  0.247929D+01 -0.192230D+01 -0.169036D-01  0.170035D+00
                66            67            68            69            70 
      1  -0.109454D+00  0.401886D+00 -0.108652D+01 -0.540280D+00 -0.126701D+00
      2   0.963095D-01  0.960379D+00  0.994559D+00 -0.511353D+00 -0.312912D+01
      3   0.354389D+00  0.246287D+01  0.328836D+00 -0.881634D+00 -0.981563D+00
                71            72            73            74            75 
      1   0.344134D+01  0.753059D+00 -0.116226D+01 -0.704437D+00  0.409144D+00
      2  -0.798560D+00  0.282949D+01  0.171439D+01  0.377770D+00  0.403359D+00
      3  -0.421953D+00  0.704069D+00  0.355718D+00 -0.169678D+01  0.226155D+00
                76            77            78            79            80 
      1  -0.757885D+00 -0.733624D+00  0.772008D+00  0.817368D+00  0.274699D+01
      2   0.154757D+01  0.119562D+01 -0.131328D+01 -0.515672D+01 -0.338099D+00
      3   0.304705D+00 -0.188614D-01 -0.686581D+00  0.104002D+01 -0.246794D+00
                81            82            83            84            85 
      1  -0.513714D+01  0.108979D+01 -0.647048D+00  0.676886D+00 -0.172346D+01
      2   0.687784D+01  0.747034D-01 -0.956184D-01  0.141865D+01 -0.151033D+01
      3  -0.538052D+00 -0.299712D+01 -0.130153D+01 -0.641692D+00  0.530352D+01
                86            87            88            89            90 
      1   0.407739D+01 -0.217808D+01  0.786171D+00 -0.228241D+00 -0.446434D-01
      2   0.159372D+01  0.306278D+00 -0.715201D+00  0.236626D+00  0.453701D+00
      3  -0.529065D+01 -0.495639D+00 -0.151031D+01  0.345727D+00 -0.829298D+00
                91            92            93            94            95 
      1  -0.371842D+01  0.403123D+01  0.234561D+00  0.483952D+01 -0.391289D+01
      2  -0.284652D+01  0.225660D+01 -0.161529D+01  0.895503D+00 -0.357613D+01
      3  -0.870132D+01  0.845094D+01  0.151956D+01  0.112839D+02 -0.132784D+02
                96            97            98            99           100 
      1  -0.212442D+01 -0.571275D-01  0.722469D+00  0.125014D+01  0.202104D+01
      2   0.281492D+01 -0.169493D+01  0.215636D+01 -0.822580D+00  0.133907D+01
      3  -0.357436D+00  0.108900D+01  0.556853D+00 -0.119020D+01 -0.216013D+02
               101           102           103           104           105 
      1  -0.432844D+00  0.244574D+01 -0.786899D-01  0.779763D+00 -0.114143D+01
      2  -0.458307D+00  0.681667D+00 -0.161882D-01  0.370812D+00 -0.119338D+01
      3  -0.162891D+01 -0.194864D+01  0.513092D+01 -0.181135D+00 -0.408604D+00
               106           107           108           109           110 
      1   0.117973D+00 -0.765796D-01  0.623814D+00 -0.746552D+00 -0.130294D+01
      2  -0.166229D+01 -0.136731D+01 -0.250502D+00 -0.139919D+00  0.410574D+00
      3  -0.399326D+01 -0.871062D-01  0.973719D+00  0.135831D+01  0.477878D+00
               111           112           113           114           115 
      1  -0.379419D+01 -0.731533D+00 -0.317976D+01 -0.550239D+01 -0.217859D+01
      2   0.938766D+00 -0.499419D+00  0.418410D+00  0.800624D+00 -0.157713D+01
      3   0.268891D+00  0.279920D+01 -0.533343D-01  0.567438D-01  0.279640D+01
               116           117           118           119           120 
      1  -0.406871D+01 -0.714510D+01  0.686732D-01  0.101619D+00 -0.207438D+00
      2   0.684641D+00  0.129815D+01 -0.380827D+01 -0.176544D+00  0.451249D+01
      3   0.673470D+00  0.167590D+01 -0.172570D+01 -0.168407D+01  0.604498D-02
               121           122           123           124           125 
      1  -0.626510D+00 -0.125003D+01 -0.196916D+01  0.171556D+00  0.394862D+01
      2   0.730760D-01 -0.328560D+01  0.882329D+01  0.352628D+01  0.725754D+01
      3  -0.225825D+00 -0.128470D+01  0.341084D+01  0.509694D+00  0.650044D+01
               126 
      1   0.200479D+01
      2  -0.240012D+02
      3  -0.748033D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.496398D+02  0.524688D+01  0.255458D+01  0.120053D+02  0.151209D+02
      2   0.242991D+02 -0.274971D+01 -0.230176D+01 -0.452050D+01 -0.154952D+02
      3   0.253407D+02 -0.249717D+01 -0.252820D+00 -0.748476D+01  0.374224D+00
      4   0.953711D+00 -0.100229D+02 -0.125902D+01  0.118545D+02 -0.225889D+01
      5  -0.528774D+00 -0.186796D+01 -0.578506D+01  0.170516D+01 -0.103640D+00
      6   0.282978D+01  0.708775D+00  0.167028D+00  0.273295D+00  0.353296D+00
                 6             7             8             9            10 
      1   0.381455D-01  0.106380D+02  0.326589D+00  0.110056D+02  0.105146D+03
      2  -0.255506D+01 -0.609245D+01 -0.128837D+01  0.195285D+01 -0.519235D+02
      3   0.251691D+01 -0.454551D+01  0.961778D+00 -0.129584D+02 -0.532223D+02
      4   0.797476D-01  0.521704D+01  0.285192D+01  0.247148D+01  0.491810D+00
      5   0.131742D+01  0.473870D+01  0.328163D+00 -0.330106D+01  0.502588D+01
      6   0.363292D+01  0.112113D+01  0.163258D+01 -0.982065D+00  0.889104D+00
                11            12            13            14            15 
      1  -0.872802D+01  0.159883D+01 -0.191939D+02  0.210634D+01 -0.346024D+01
      2   0.666111D+01 -0.200472D+01  0.157213D+02  0.157911D+02  0.164787D+01
      3   0.206691D+01  0.405890D+00  0.347260D+01 -0.178975D+02  0.181237D+01
      4   0.286860D+02  0.451043D+01  0.315707D+02  0.527723D+01  0.596282D+01
      5   0.382393D+01  0.158598D+02  0.254145D+00  0.622792D+01 -0.135057D+02
      6   0.694451D+00  0.741434D+00  0.234086D+01  0.292317D+01  0.101642D+02
                16            17            18            19            20 
      1  -0.205979D+00 -0.182126D+01  0.402297D+01 -0.356736D-01  0.206820D+01
      2  -0.439818D+01 -0.202524D+01 -0.107661D+02  0.253362D+01  0.102579D+01
      3   0.460416D+01  0.384651D+01  0.674308D+01 -0.249795D+01 -0.309399D+01
      4   0.295003D+01  0.870033D+01 -0.123527D+02  0.153248D+00  0.739013D+01
      5   0.251667D+02 -0.125195D+02  0.381926D+02  0.586098D+01 -0.407880D+00
      6  -0.866406D-02  0.130268D+02  0.100563D+02  0.497996D+00 -0.212040D+01
                21            22            23            24            25 
      1   0.196750D+01 -0.421929D+01  0.591171D+01 -0.534755D+01 -0.921895D+01
      2  -0.255954D+01  0.281610D+01 -0.540720D+01 -0.254487D+01  0.254361D+01
      3   0.592050D+00  0.140319D+01 -0.504505D+00  0.789242D+01  0.667535D+01
      4  -0.155824D+01 -0.718615D+01 -0.673228D+01  0.743951D+00 -0.546659D+01
      5   0.471212D+01 -0.175516D+00  0.627182D+00 -0.111910D+01  0.452783D+00
      6  -0.229072D+00  0.250478D+01  0.524508D+00 -0.932314D+01 -0.150762D+01
                26            27            28            29            30 
      1  -0.581989D+01  0.282315D+01  0.410336D+01 -0.257853D+01 -0.252598D+01
      2  -0.258841D+01  0.107816D+02 -0.445501D+01  0.434930D+01  0.256425D+01
      3   0.840831D+01 -0.136047D+02  0.351644D+00 -0.177078D+01 -0.382746D-01
      4  -0.417918D+01 -0.943445D-01  0.781705D+01 -0.385151D+01 -0.155547D+01
      5   0.124187D+01 -0.121245D+01 -0.141213D+01 -0.177286D+01  0.462306D+01
      6   0.165646D+01  0.414457D+01 -0.875066D+00 -0.251068D+00 -0.591282D+01
                31            32            33            34            35 
      1   0.207145D+01 -0.133017D+02  0.659397D+01  0.233455D+01  0.808091D+01
      2   0.341738D+00  0.226498D+02 -0.558908D+01  0.125798D+00 -0.725619D+01
      3  -0.241319D+01 -0.934806D+01 -0.100490D+01 -0.246035D+01 -0.824721D+00
      4   0.204267D+01  0.492261D+01 -0.317640D+01 -0.709860D+00 -0.234418D+01
      5  -0.168749D+01 -0.182288D+01 -0.890380D+00  0.207862D+01 -0.145628D+01
      6  -0.527099D+01 -0.966640D+01  0.737937D+00 -0.669627D+01 -0.748774D+01
                36            37            38            39            40 
      1   0.438873D+01 -0.490682D+01 -0.850147D+01 -0.167525D+01  0.769956D+01
      2  -0.778467D+01 -0.109791D+01  0.108104D+02 -0.377369D+01 -0.773242D+00
      3   0.339594D+01  0.600473D+01 -0.230889D+01  0.544895D+01 -0.692632D+01
      4  -0.419450D+01  0.499838D+01 -0.181039D+02  0.611347D+01 -0.269896D+02
      5  -0.313557D+01 -0.344265D+01  0.757918D+01 -0.964024D+01  0.145436D+02
      6  -0.118653D+02  0.108668D+01  0.354292D-01  0.340049D+01 -0.961799D+00
                41            42            43            44            45 
      1  -0.111189D+01  0.144373D+01  0.159848D+01  0.683573D+01 -0.344084D+01
      2  -0.124828D+02 -0.645943D+01 -0.275083D+01  0.423695D+00 -0.167088D+01
      3   0.135947D+02  0.501570D+01  0.115235D+01 -0.725943D+01  0.511171D+01
      4   0.273792D+02 -0.336063D+01  0.146267D+02  0.287041D+01  0.242201D+01
      5  -0.457022D+01  0.796852D+01 -0.273511D+01  0.162822D+01  0.588644D+01
      6   0.487076D+01 -0.804690D+01  0.140675D+01  0.303629D+01  0.524701D+01
                46            47            48            49            50 
      1   0.251678D+02 -0.100328D+02  0.382489D+01 -0.127762D+02 -0.104868D+02
      2  -0.827990D+01 -0.200747D+01 -0.257825D+01 -0.159909D+01  0.331290D+02
      3  -0.168879D+02  0.120403D+02 -0.124663D+01  0.143753D+02 -0.226422D+02
      4  -0.271516D+02  0.277270D+02 -0.598984D+01  0.342120D+02 -0.538925D+02
      5   0.103332D+02 -0.680059D+01  0.131334D+02 -0.767387D+01  0.101886D+02
      6  -0.276952D+01  0.217941D+01 -0.576625D+01  0.423579D+01 -0.594207D+01
                51            52            53            54            55 
      1   0.195255D+01  0.395551D+01  0.813408D+00 -0.892100D+00  0.402306D+02
      2  -0.508892D+00 -0.192508D+01 -0.113066D+01 -0.994294D+00 -0.240368D+02
      3  -0.144366D+01 -0.203043D+01  0.317250D+00  0.188639D+01 -0.161938D+02
      4   0.799999D+01 -0.682013D+01  0.570558D+01 -0.141746D+02  0.168807D+02
      5  -0.151537D+02  0.151611D+02 -0.141902D+02  0.108809D+02 -0.138236D+02
      6   0.137381D+02 -0.683530D+01  0.118568D+02 -0.616874D+01 -0.265606D+01
                56            57            58            59            60 
      1   0.494639D+01 -0.707396D+01 -0.602651D+01  0.111764D+02  0.294172D+01
      2  -0.472703D+00  0.899159D+01  0.691095D+01 -0.331257D+01 -0.371568D+00
      3  -0.447369D+01 -0.191763D+01 -0.884442D+00 -0.786385D+01 -0.257015D+01
      4   0.194765D+02 -0.525381D+01  0.196179D+02  0.600337D+01 -0.270525D+01
      5  -0.430124D+01  0.164715D+02 -0.135185D+01 -0.423988D+01  0.134891D+01
      6  -0.171812D+01  0.383905D+01 -0.913358D+00 -0.177139D+01  0.670093D+01
                61            62            63            64            65 
      1  -0.296969D+01 -0.225152D+01  0.215191D+01 -0.211350D+00 -0.523604D-01
      2   0.431453D+01  0.184064D+01 -0.111838D+02 -0.348707D+01 -0.875938D+00
      3  -0.134484D+01  0.410878D+00  0.903186D+01  0.369842D+01  0.928298D+00
      4  -0.688488D+01 -0.580424D+01  0.653903D+01  0.416637D+00  0.854123D+00
      5   0.160063D+02  0.578948D+01 -0.179503D+02 -0.115402D+01 -0.131934D+01
      6   0.230692D+01  0.517104D+01 -0.366677D+01 -0.150791D+01 -0.493248D+00
                66            67            68            69            70 
      1   0.825016D+00  0.456650D-03 -0.484919D+01  0.429271D+01  0.211091D+01
      2   0.107878D+01 -0.980017D+00  0.122469D+00  0.194712D+01  0.349915D+00
      3  -0.190380D+01  0.979560D+00  0.472672D+01 -0.623984D+01 -0.246083D+01
      4  -0.790764D+00  0.287738D+01  0.655153D+00  0.461929D-01 -0.723960D+00
      5   0.472231D+01 -0.143672D+01  0.229225D-01  0.172518D+00  0.427178D+01
      6   0.245419D+00 -0.956104D+00 -0.453527D+01  0.810779D+01  0.938262D+00
                71            72            73            74            75 
      1   0.346687D+01 -0.174982D+02  0.363547D+01 -0.538572D+00  0.212001D+01
      2   0.441895D+01 -0.136781D+02 -0.454437D+01  0.877629D-01  0.848343D+00
      3  -0.788582D+01  0.311763D+02  0.908903D+00  0.450809D+00 -0.296835D+01
      4   0.100701D+01 -0.330434D+00 -0.140367D+00  0.168844D+01  0.739303D+00
      5  -0.509455D+00  0.165031D+01 -0.117393D+01  0.468334D-01  0.536818D+01
      6   0.582255D+01 -0.699029D+01 -0.285040D+00 -0.534603D+00 -0.387964D+00
                76            77            78            79            80 
      1  -0.338518D+01 -0.436966D+01  0.263129D+01  0.575633D+01 -0.811711D-01
      2   0.140148D+01  0.190316D+01  0.144770D+01 -0.452009D+00  0.130533D+01
      3   0.198369D+01  0.246650D+01 -0.407899D+01 -0.530432D+01 -0.122416D+01
      4  -0.359237D+00 -0.459777D+00  0.120244D+01  0.158287D+01  0.883391D+00
      5   0.168413D+00  0.899578D+00 -0.153675D+01  0.226273D+01 -0.935799D-01
      6  -0.548179D+00 -0.692723D+00  0.404694D+01 -0.939211D+00  0.386340D+01
                81            82            83            84            85 
      1  -0.203577D+02  0.175881D+01  0.241375D+01  0.920782D-01  0.994012D+01
      2  -0.903176D+01  0.164603D+01 -0.297220D+01  0.284984D+00 -0.893179D+01
      3   0.293895D+02 -0.340484D+01  0.558448D+00 -0.377063D+00 -0.100833D+01
      4  -0.156603D+01 -0.110213D+01  0.623794D+01  0.620616D+00  0.224213D+01
      5   0.721702D+01 -0.367037D+00  0.114873D+01  0.226429D+01  0.502149D+00
      6   0.427531D+01  0.767198D-01 -0.703984D+00 -0.480354D+00 -0.121580D+01
                86            87            88            89            90 
      1  -0.221159D+02 -0.289481D+01 -0.210998D+01  0.501079D+00 -0.447584D+01
      2   0.297522D+02  0.217232D+01  0.186293D+01 -0.101654D+01  0.222730D+01
      3  -0.763631D+01  0.722495D+00  0.247044D+00  0.515463D+00  0.224854D+01
      4   0.470893D+01  0.209866D+00  0.261531D+00 -0.681003D+00  0.598324D-01
      5  -0.958903D-01  0.187406D+00  0.805166D+00  0.464936D+00  0.219409D+00
      6   0.501488D+01  0.425774D+01 -0.165757D+01  0.469110D+01  0.780118D+00
                91            92            93            94            95 
      1  -0.127045D+02  0.537426D+01  0.191684D+01  0.132690D+02 -0.908306D+01
      2   0.989572D+01 -0.200906D+01 -0.327293D+01 -0.764079D+01  0.992431D+01
      3   0.280879D+01 -0.336521D+01  0.135609D+01 -0.562817D+01 -0.841251D+00
      4   0.173325D+01 -0.260345D+01  0.117313D+01  0.373429D+01  0.144467D+02
      5   0.377025D+01 -0.371005D-01 -0.392471D+01 -0.465149D+01 -0.288781D+01
      6   0.185905D+01 -0.281538D+00  0.532315D+00 -0.279980D+01 -0.470631D+01
                96            97            98            99           100 
      1  -0.702103D+00  0.146738D+01  0.289000D+01 -0.319874D+01  0.429618D+01
      2   0.649464D+00 -0.105906D+01 -0.228310D+01  0.117420D+01  0.194794D+01
      3   0.526394D-01 -0.408324D+00 -0.606899D+00  0.202455D+01 -0.624412D+01
      4  -0.496395D+01 -0.258719D+00 -0.235794D+01  0.238449D+01 -0.122297D+02
      5   0.584790D+01  0.167831D+01  0.246343D+01 -0.219747D+01 -0.175751D+01
      6   0.380547D+01  0.328496D+00  0.391675D+01 -0.404781D+01 -0.716938D+00
               101           102           103           104           105 
      1   0.875981D+01  0.228071D+01  0.844977D+00 -0.397590D+01 -0.491663D+00
      2  -0.127419D+02 -0.795239D+00 -0.439336D+01  0.745024D+01  0.171272D-01
      3   0.398206D+01 -0.148547D+01  0.354838D+01 -0.347434D+01  0.474536D+00
      4   0.823205D+01 -0.111427D+01  0.785426D+01 -0.822434D+01 -0.469731D+00
      5   0.476037D+00 -0.491705D+00  0.112933D+01 -0.678815D+00 -0.172924D+01
      6  -0.224272D+01 -0.386257D+01 -0.141182D+01  0.106524D+01  0.252447D+01
               106           107           108           109           110 
      1  -0.336475D+00  0.572796D+00 -0.163840D+01 -0.140909D+01 -0.281182D+01
      2   0.140342D+00 -0.101164D+01  0.704673D+00  0.156809D+01  0.292510D+01
      3   0.196133D+00  0.438841D+00  0.933722D+00 -0.158999D+00 -0.113280D+00
      4  -0.209117D+01 -0.472903D+00 -0.146946D+01  0.314875D+01  0.538632D+01
      5   0.163373D+01 -0.140534D+01 -0.683511D+00  0.230210D+01  0.304987D+01
      6   0.856638D-01  0.344633D+01 -0.433664D+00  0.391481D+01  0.488999D+01
               111           112           113           114           115 
      1  -0.212322D+01 -0.229719D+01 -0.131117D+02 -0.834769D+01 -0.358091D+01
      2   0.950412D+00  0.265898D+01  0.146871D+02  0.810571D+01  0.171762D+01
      3   0.117280D+01 -0.361784D+00 -0.157540D+01  0.241980D+00  0.186329D+01
      4   0.423216D+01  0.459614D+01  0.354969D+01  0.259793D+01  0.405453D+01
      5   0.424499D+01  0.135745D+01  0.216746D+01  0.161874D+01  0.398124D+01
      6   0.709811D+01  0.329636D+01  0.150973D+02  0.146822D+02  0.633639D+01
               116           117           118           119           120 
      1  -0.127679D+02 -0.133413D+02  0.617770D+01  0.320495D+01 -0.697277D+01
      2   0.100691D+02  0.641716D+01 -0.487019D+01 -0.141581D+01  0.416315D+01
      3   0.269883D+01  0.692414D+01 -0.130750D+01 -0.178914D+01  0.280962D+01
      4   0.427665D+01  0.493795D+01  0.310830D+01  0.409631D+01 -0.207584D+01
      5   0.308251D+01  0.425424D+01 -0.602583D+01 -0.182575D+01  0.122344D+02
      6   0.186842D+02  0.190863D+02 -0.234361D+01 -0.162367D+00  0.615190D+00
               121           122           123           124           125 
      1   0.268218D+01 -0.203835D+01  0.282206D+01 -0.784378D+01  0.726461D+00
      2  -0.224112D+01  0.154592D+01 -0.902636D+00  0.721824D+01  0.201457D+01
      3  -0.441060D+00  0.492430D+00 -0.191942D+01  0.625546D+00 -0.274103D+01
      4   0.513940D+01  0.370285D+01 -0.656002D+01 -0.573743D+01 -0.104558D+02
      5  -0.268330D+01 -0.573448D+01  0.154734D+02  0.157044D+02  0.142537D+02
      6  -0.966282D+00 -0.474314D+01  0.876377D+01  0.419901D+01  0.587659D+01
               126 
      1  -0.207745D+01
      2  -0.106765D+02
      3   0.127539D+02
      4   0.153673D+02
      5  -0.422136D+02
      6  -0.116431D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:16:11 2021, MaxMem=  5368709120 cpu:            4458.7 elap:             558.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -89.06907 -19.31681 -19.26130 -14.47470 -10.43410
 Alpha  occ. eigenvalues --  -10.36753 -10.35638  -8.08705  -6.03644  -6.03277
 Alpha  occ. eigenvalues --   -6.02633  -1.21591  -1.13317  -1.03467  -0.91593
 Alpha  occ. eigenvalues --   -0.83340  -0.74028  -0.70036  -0.63875  -0.62514
 Alpha  occ. eigenvalues --   -0.59363  -0.55669  -0.53935  -0.52393  -0.49967
 Alpha  occ. eigenvalues --   -0.49317  -0.46590  -0.43624  -0.40871  -0.39364
 Alpha  occ. eigenvalues --   -0.35680  -0.34612
 Alpha virt. eigenvalues --    0.02477   0.04067   0.04526   0.04812   0.06016
 Alpha virt. eigenvalues --    0.06925   0.07168   0.08095   0.08860   0.10404
 Alpha virt. eigenvalues --    0.10859   0.11455   0.12411   0.12926   0.13897
 Alpha virt. eigenvalues --    0.14336   0.14690   0.15083   0.15451   0.16450
 Alpha virt. eigenvalues --    0.16951   0.17524   0.18409   0.18543   0.19592
 Alpha virt. eigenvalues --    0.19849   0.20378   0.22199   0.23004   0.24839
 Alpha virt. eigenvalues --    0.25116   0.25469   0.26741   0.28559   0.29060
 Alpha virt. eigenvalues --    0.29238   0.29828   0.30578   0.31050   0.32103
 Alpha virt. eigenvalues --    0.32803   0.33298   0.33741   0.34481   0.37115
 Alpha virt. eigenvalues --    0.38100   0.38538   0.39029   0.40053   0.41468
 Alpha virt. eigenvalues --    0.42011   0.43535   0.44263   0.45292   0.45565
 Alpha virt. eigenvalues --    0.47198   0.47982   0.48518   0.48660   0.49412
 Alpha virt. eigenvalues --    0.50172   0.51324   0.51975   0.52153   0.55572
 Alpha virt. eigenvalues --    0.55969   0.57004   0.58885   0.59947   0.60339
 Alpha virt. eigenvalues --    0.61399   0.62227   0.63652   0.64329   0.65236
 Alpha virt. eigenvalues --    0.66434   0.67086   0.69093   0.69351   0.71537
 Alpha virt. eigenvalues --    0.72465   0.74332   0.75772   0.76420   0.77179
 Alpha virt. eigenvalues --    0.78045   0.78926   0.79896   0.82100   0.82624
 Alpha virt. eigenvalues --    0.84298   0.86407   0.89373   0.91112   0.91619
 Alpha virt. eigenvalues --    0.92765   0.93872   0.94388   0.98845   0.99099
 Alpha virt. eigenvalues --    1.00676   1.01799   1.03695   1.03940   1.05944
 Alpha virt. eigenvalues --    1.06612   1.08363   1.10186   1.12033   1.14505
 Alpha virt. eigenvalues --    1.14743   1.15219   1.16671   1.17666   1.19805
 Alpha virt. eigenvalues --    1.23525   1.25641   1.26101   1.27599   1.30245
 Alpha virt. eigenvalues --    1.31596   1.33073   1.35544   1.39065   1.42742
 Alpha virt. eigenvalues --    1.44362   1.49933   1.51534   1.52835   1.54707
 Alpha virt. eigenvalues --    1.57927   1.58724   1.61680   1.66464   1.69791
 Alpha virt. eigenvalues --    1.71449   1.72984   1.73518   1.75776   1.79419
 Alpha virt. eigenvalues --    1.80469   1.82758   1.85283   1.86541   1.87299
 Alpha virt. eigenvalues --    1.88189   1.92667   1.95281   1.99061   2.00409
 Alpha virt. eigenvalues --    2.02926   2.05507   2.10513   2.11946   2.13763
 Alpha virt. eigenvalues --    2.14580   2.16242   2.19452   2.21727   2.22706
 Alpha virt. eigenvalues --    2.24047   2.26730   2.29138   2.32159   2.35770
 Alpha virt. eigenvalues --    2.36571   2.38898   2.45274   2.47608   2.48674
 Alpha virt. eigenvalues --    2.53380   2.55273   2.64518   2.65467   2.69263
 Alpha virt. eigenvalues --    2.74704   2.78537   2.84153   2.87183   2.91321
 Alpha virt. eigenvalues --    3.07517   3.09466   3.10731   3.26270   3.34527
 Alpha virt. eigenvalues --    3.44680   3.45072   3.46365   3.48432   3.51652
 Alpha virt. eigenvalues --    3.53283   3.54445   3.63578   3.79371   3.90190
 Alpha virt. eigenvalues --    4.04740
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.095323   0.201161  -0.028231  -0.026266  -0.017568   0.020979
     2  S    0.201161  15.776812  -0.004646  -0.000845  -0.024623   0.000803
     3  C   -0.028231  -0.004646   6.764311   0.100365  -0.795659  -0.010945
     4  N   -0.026266  -0.000845   0.100365   6.558788   0.027239  -0.014379
     5  C   -0.017568  -0.024623  -0.795659   0.027239   6.032453   0.285300
     6  O    0.020979   0.000803  -0.010945  -0.014379   0.285300   8.298735
     7  O   -0.001274   0.001514   0.208584  -0.093296  -0.209358  -0.069726
     8  H    0.164764  -0.058907  -0.561797  -0.043723  -0.015972   0.026379
     9  H    0.289332  -0.259568  -0.037542  -0.019836  -0.072053   0.013625
    10  H    0.103725  -0.130235   0.018535   0.036907   0.060862  -0.010015
    11  H    0.011290  -0.002237  -0.177239   0.071477  -0.011107   0.015035
    12  H   -0.059392   0.007037  -0.104112   0.276265   0.019888  -0.000822
    13  H   -0.034787   0.005028   0.184607   0.365119  -0.065914   0.003248
    14  H    0.014440   0.272074  -0.039550  -0.011091  -0.001048   0.000211
               7          8          9         10         11         12
     1  C   -0.001274   0.164764   0.289332   0.103725   0.011290  -0.059392
     2  S    0.001514  -0.058907  -0.259568  -0.130235  -0.002237   0.007037
     3  C    0.208584  -0.561797  -0.037542   0.018535  -0.177239  -0.104112
     4  N   -0.093296  -0.043723  -0.019836   0.036907   0.071477   0.276265
     5  C   -0.209358  -0.015972  -0.072053   0.060862  -0.011107   0.019888
     6  O   -0.069726   0.026379   0.013625  -0.010015   0.015035  -0.000822
     7  O    8.387207  -0.004123   0.029206  -0.010488   0.220491   0.001360
     8  H   -0.004123   1.918531   0.092501  -0.090209   0.016967   0.040374
     9  H    0.029206   0.092501   1.427018  -0.310546  -0.004938  -0.025214
    10  H   -0.010488  -0.090209  -0.310546   1.630758   0.006006   0.017739
    11  H    0.220491   0.016967  -0.004938   0.006006   0.649063   0.009355
    12  H    0.001360   0.040374  -0.025214   0.017739   0.009355   0.939505
    13  H   -0.000292  -0.115541   0.002384  -0.008742  -0.016340  -0.152736
    14  H    0.001355  -0.002530   0.033444  -0.050115  -0.000444  -0.004871
              13         14
     1  C   -0.034787   0.014440
     2  S    0.005028   0.272074
     3  C    0.184607  -0.039550
     4  N    0.365119  -0.011091
     5  C   -0.065914  -0.001048
     6  O    0.003248   0.000211
     7  O   -0.000292   0.001355
     8  H   -0.115541  -0.002530
     9  H    0.002384   0.033444
    10  H   -0.008742  -0.050115
    11  H   -0.016340  -0.000444
    12  H   -0.152736  -0.004871
    13  H    0.846489   0.001936
    14  H    0.001936   0.738966
 Mulliken charges:
               1
     1  C    0.266504
     2  S    0.216633
     3  C    0.483319
     4  N   -0.226726
     5  C    0.787562
     6  O   -0.558428
     7  O   -0.461161
     8  H   -0.366715
     9  H   -0.157813
    10  H   -0.264181
    11  H    0.212620
    12  H    0.035624
    13  H   -0.014459
    14  H    0.047222
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.155490
     2  S    0.263855
     3  C    0.116604
     4  N   -0.205561
     5  C    0.787562
     6  O   -0.558428
     7  O   -0.248541
 Electronic spatial extent (au):  <R**2>=           1107.7923
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.8710    Y=              2.5707    Z=              1.3239  Tot=              4.0747
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.2125   YY=            -49.9003   ZZ=            -46.1773
   XY=              5.6494   XZ=             -1.5831   YZ=              2.2241
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.4491   YY=              2.8630   ZZ=              6.5861
   XY=              5.6494   XZ=             -1.5831   YZ=              2.2241
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -8.0492  YYY=             13.6937  ZZZ=              2.2634  XYY=             -1.6964
  XXY=             12.2584  XXZ=             10.4593  XZZ=              0.7642  YZZ=              3.1557
  YYZ=              2.3909  XYZ=              6.1760
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1109.9272 YYYY=           -271.9297 ZZZZ=           -111.4395 XXXY=             15.7231
 XXXZ=            -22.2905 YYYX=             13.2855 YYYZ=             12.0850 ZZZX=             -3.2412
 ZZZY=              0.5881 XXYY=           -235.5032 XXZZ=           -186.5499 YYZZ=            -61.0059
 XXYZ=             -4.0312 YYXZ=             -7.1504 ZZXY=              5.2673
 N-N= 3.760535815021D+02 E-N=-2.455985628757D+03  KE= 7.190144755574D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:16:12 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.15728074D+00 1.02435809D+00 5.10759384D-01
 Polarizability= 8.39122357D+01-1.22661263D+00 6.70540663D+01
                -2.45923502D+00-2.72873624D+00 5.72487413D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.1932    1.1965       -0.4608   -0.4610
 2     -1.1932   -1.1965        1.1036    1.1041       -8.0033   -8.0066
 3      0.4608    0.4610       13.7092   13.7070       -1.1032   -1.1041
 4     -1.1036   -1.1041       -0.0000    0.0000        0.4606    0.4610
 5     -5.7058   -5.7004       -0.4606   -0.4610        1.1993    1.1965
 6      1.1032    1.1041       -1.1993   -1.1965        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.5896   -3.5896       -1.3830   -1.3830
 2     -3.3122   -3.3122        0.0000    0.0000       -1.3830   -1.3830
 3     -3.3122   -3.3122       -3.5896   -3.5896       -0.0000    0.0000
 4     -3.5896   -3.5896        3.3122    3.3122      -24.0199  -24.0199
 5      1.3830    1.3830       41.1211   41.1211       -3.3122   -3.3122
 6    -17.1011  -17.1011       -1.3830   -1.3830        3.5896    3.5896
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0729    0.0000       -5.0221   -4.7861        1.2397    1.8440
 2      4.9113    4.7861       -4.3256   -4.4163       31.4925   32.0266
 3     -1.8471   -1.8440      -54.6615  -54.8281        4.4659    4.4163
 4      4.2967    4.4163       -0.0502    0.0000       -2.0682   -1.8440
 5     22.7367   22.8015        1.9602    1.8440       -4.9282   -4.7861
 6     -4.4628   -4.4163        4.7400    4.7861       -0.0362    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0813    0.0000        7.0262    7.0513       -1.6211   -1.7017
 2     -7.1252   -7.0513      -13.8550  -13.8596       24.0628   24.4283
 3      1.8452    1.7017        5.4848    5.5449       13.0402   13.8596
 4     14.0173   13.8596       -0.1080    0.0000        1.6009    1.7017
 5    -29.9668  -29.9732       -1.4357   -1.7017        6.4597    7.0513
 6    -14.0840  -13.8596       -7.2233   -7.0513       -0.0854    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     13.7739   13.9364       23.5875   23.6246      -18.4037  -18.3545
 2     33.0688   32.9119       22.6556   22.5496      -18.4577  -18.3545
 3     32.8814   32.9119       23.6818   23.6246      -19.9908  -19.9496
 4      0.8388    1.0750      -19.1883  -18.9756       25.0401   24.7775
 5     -1.3893   -1.5951       29.9567   29.9289       18.2656   18.9756
 6    -54.7495  -54.7064        1.8188    1.5951       -1.5891   -1.0750
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.8885    0.0028    0.0030    0.0033    0.9683    4.2559
 Low frequencies ---   76.2789  110.7458  172.8113
 Diagonal vibrational polarizability:
       26.4147812      25.2900046      19.2838414
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     76.2785               110.7458               172.8113
 Red. masses --      6.9221                 2.6423                 6.4931
 Frc consts  --      0.0237                 0.0191                 0.1142
 IR Inten    --      2.6000                 6.3928                 9.4712
 RamAct Fr= 1--      1.0881                 0.5630                 0.5341
  Dep-P Fr= 1--      0.7444                 0.6632                 0.7493
  Dep-U Fr= 1--      0.8535                 0.7975                 0.8567
 Alpha2 Fr= 1--      0.0001                 0.0009                 0.0000
 Beta2  Fr= 1--      0.1548                 0.0748                 0.0763
 AlphaG Fr= 1--      0.0012                -0.0023                -0.0001
 Gamma2 Fr= 1--      0.6232                 0.4051                -0.1806
 Delta2 Fr= 1--      0.2531                 0.1719                -0.0616
 Raman1 Fr= 1--       4.353                  2.252                  2.137
 ROA1   Fr= 1--      67.931                 44.392                -19.314
 CID1   Fr= 1--      15.607                 19.711                 -9.040
 Raman2 Fr= 1--       1.857                  0.898                  0.915
 ROA2   Fr= 1--      12.933                  8.348                 -3.843
 CID2   Fr= 1--       6.963                  9.296                 -4.199
 Raman3 Fr= 1--       3.715                  1.796                  1.830
 ROA3   Fr= 1--      67.931                 44.392                -19.314
 CID3   Fr= 1--      18.287                 24.716                -10.552
 RC180  Fr= 1--       0.707                  0.595                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03  -0.05    -0.00  -0.18   0.20    -0.13  -0.09  -0.21
     2  16    -0.03  -0.10   0.12     0.02   0.07  -0.06    -0.06   0.14   0.10
     3   6    -0.01   0.10  -0.13     0.02  -0.03   0.06    -0.05  -0.21  -0.20
     4   7     0.03   0.09  -0.24    -0.06  -0.05  -0.04    -0.10  -0.20  -0.12
     5   6    -0.01   0.01  -0.02     0.02   0.01  -0.02     0.07  -0.03  -0.02
     6   8    -0.21  -0.12  -0.17     0.03  -0.02  -0.13     0.25   0.08   0.13
     7   8     0.26   0.09   0.32    -0.01   0.08   0.06     0.07   0.10   0.13
     8   1    -0.04   0.21  -0.10     0.11   0.05   0.10    -0.09  -0.27  -0.22
     9   1    -0.13   0.04  -0.06     0.08  -0.47   0.13    -0.23  -0.00  -0.20
    10   1     0.07   0.04  -0.05    -0.10  -0.16   0.49    -0.25  -0.12  -0.31
    11   1     0.30   0.12   0.26    -0.06   0.06   0.10    -0.06  -0.01   0.02
    12   1     0.07   0.09  -0.46    -0.06  -0.12  -0.15    -0.12  -0.23  -0.02
    13   1    -0.16   0.14  -0.20    -0.16   0.03  -0.05    -0.05  -0.24  -0.11
    14   1     0.16  -0.03   0.16    -0.13   0.48   0.09     0.14   0.19   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    248.9407               271.4012               332.6766
 Red. masses --      1.9060                 2.0089                 2.9271
 Frc consts  --      0.0696                 0.0872                 0.1909
 IR Inten    --      4.2024                 8.5202                25.5634
 RamAct Fr= 1--      2.5150                 1.1141                 0.8638
  Dep-P Fr= 1--      0.1985                 0.1840                 0.2600
  Dep-U Fr= 1--      0.3312                 0.3108                 0.4127
 Alpha2 Fr= 1--      0.0343                 0.0158                 0.0100
 Beta2  Fr= 1--      0.1388                 0.0577                 0.0594
 AlphaG Fr= 1--      0.0342                -0.0198                -0.0184
 Gamma2 Fr= 1--      0.2344                -0.1233                 0.1176
 Delta2 Fr= 1--     -0.0168                 0.1963                 0.1976
 Raman1 Fr= 1--      10.060                  4.456                  3.455
 ROA1   Fr= 1--      21.969                 -5.554                 17.616
 CID1   Fr= 1--       2.184                 -1.246                  5.099
 Raman2 Fr= 1--       1.666                  0.692                  0.713
 ROA2   Fr= 1--       5.761                 -4.529                  1.243
 CID2   Fr= 1--       3.458                 -6.541                  1.743
 Raman3 Fr= 1--       3.332                  1.385                  1.426
 ROA3   Fr= 1--      21.969                 -5.554                 17.616
 CID3   Fr= 1--       6.594                 -4.010                 12.354
 RC180  Fr= 1--      -0.338                 -0.378                 -0.175
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.01  -0.09    -0.05   0.04   0.01    -0.02  -0.05   0.02
     2  16     0.11   0.00   0.02    -0.12  -0.06  -0.04    -0.02   0.00  -0.01
     3   6    -0.03  -0.00  -0.02     0.01   0.01  -0.02     0.02   0.03  -0.06
     4   7    -0.09  -0.01   0.03     0.11   0.03   0.07    -0.18   0.01   0.11
     5   6    -0.05   0.01   0.01     0.04  -0.01  -0.02     0.02   0.06  -0.07
     6   8    -0.09  -0.01   0.02     0.07   0.01   0.01    -0.09   0.05   0.03
     7   8    -0.06  -0.02  -0.02     0.04  -0.01  -0.01     0.24  -0.06  -0.06
     8   1    -0.08  -0.06  -0.04     0.04  -0.01  -0.02     0.14  -0.10  -0.08
     9   1     0.05   0.06  -0.08    -0.08   0.02   0.00    -0.05  -0.19  -0.02
    10   1     0.10  -0.00  -0.14    -0.01   0.04   0.02    -0.03  -0.04   0.17
    11   1    -0.03   0.01   0.03     0.07   0.02   0.04     0.38  -0.01  -0.32
    12   1    -0.08  -0.07  -0.13     0.16   0.11  -0.10    -0.29  -0.08   0.62
    13   1    -0.26  -0.02   0.10     0.01  -0.04   0.15     0.19  -0.05   0.01
    14   1     0.45   0.70   0.32     0.15   0.85   0.34    -0.04   0.08   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    352.1829               409.7320               550.5299
 Red. masses --      1.2327                 2.8004                 4.0976
 Frc consts  --      0.0901                 0.2770                 0.7317
 IR Inten    --     16.0324                 5.7726                 2.4947
 RamAct Fr= 1--      0.4700                 1.2531                 1.7431
  Dep-P Fr= 1--      0.3871                 0.3049                 0.5043
  Dep-U Fr= 1--      0.5581                 0.4673                 0.6705
 Alpha2 Fr= 1--      0.0036                 0.0127                 0.0084
 Beta2  Fr= 1--      0.0437                 0.0976                 0.1948
 AlphaG Fr= 1--      0.0196                -0.0175                 0.0031
 Gamma2 Fr= 1--     -0.2113                -0.2847                 0.4218
 Delta2 Fr= 1--      0.0836                -0.0758                 0.1984
 Raman1 Fr= 1--       1.880                  5.012                  6.972
 ROA1   Fr= 1--     -17.610                -29.760                 46.843
 CID1   Fr= 1--      -9.368                 -5.937                  6.718
 Raman2 Fr= 1--       0.525                  1.171                  2.338
 ROA2   Fr= 1--      -5.740                 -6.227                  8.536
 CID2   Fr= 1--     -10.943                 -5.316                  3.652
 Raman3 Fr= 1--       1.049                  2.343                  4.675
 ROA3   Fr= 1--     -17.610                -29.760                 46.843
 CID3   Fr= 1--     -16.785                -12.704                 10.020
 RC180  Fr= 1--       0.116                 -0.065                  0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.01    -0.05  -0.16  -0.04    -0.05  -0.05  -0.07
     2  16     0.02  -0.02  -0.01     0.04   0.00   0.01     0.04  -0.00   0.01
     3   6    -0.02  -0.01  -0.00    -0.03  -0.03  -0.15    -0.14   0.13  -0.11
     4   7     0.05  -0.02  -0.05     0.18   0.03   0.09    -0.08   0.25   0.05
     5   6    -0.04   0.00   0.01    -0.06   0.05  -0.07    -0.03  -0.10   0.07
     6   8    -0.03   0.00  -0.01    -0.12   0.07   0.08     0.23  -0.05  -0.09
     7   8    -0.05   0.04   0.05    -0.02   0.06  -0.02    -0.05  -0.13   0.07
     8   1    -0.04  -0.01   0.00    -0.03  -0.07  -0.16    -0.33   0.16  -0.13
     9   1     0.01  -0.02  -0.01    -0.07  -0.51  -0.13    -0.04  -0.47  -0.17
    10   1     0.01  -0.01   0.02    -0.08  -0.14   0.29    -0.04  -0.02   0.36
    11   1    -0.15  -0.04  -0.11     0.01   0.11   0.15     0.05  -0.08   0.02
    12   1    -0.02   0.10   0.56     0.28   0.23  -0.16    -0.10   0.29   0.25
    13   1     0.69  -0.01  -0.29    -0.03  -0.25   0.34     0.03   0.05   0.14
    14   1     0.10   0.20   0.08    -0.02  -0.23  -0.08     0.16  -0.10  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    655.9487               659.1046               775.6721
 Red. masses --      4.5661                 5.2890                 2.2402
 Frc consts  --      1.1575                 1.3537                 0.7941
 IR Inten    --     10.9938                 7.3955                14.9029
 RamAct Fr= 1--      1.4391                14.4269                 2.2859
  Dep-P Fr= 1--      0.3377                 0.1829                 0.2761
  Dep-U Fr= 1--      0.5049                 0.3092                 0.4327
 Alpha2 Fr= 1--      0.0131                 0.2049                 0.0252
 Beta2  Fr= 1--      0.1211                 0.7435                 0.1649
 AlphaG Fr= 1--     -0.0004                 0.1072                 0.0219
 Gamma2 Fr= 1--     -0.6756                 1.5413                -1.6122
 Delta2 Fr= 1--     -0.0542                 0.4714                -0.4067
 Raman1 Fr= 1--       5.756                 57.708                  9.144
 ROA1   Fr= 1--     -66.598                163.046               -167.787
 CID1   Fr= 1--     -11.569                  2.825                -18.350
 Raman2 Fr= 1--       1.453                  8.921                  1.978
 ROA2   Fr= 1--     -15.782                 33.219                -35.440
 CID2   Fr= 1--     -10.860                  3.724                -17.915
 Raman3 Fr= 1--       2.906                 17.843                  3.956
 ROA3   Fr= 1--     -66.598                163.046               -167.787
 CID3   Fr= 1--     -22.915                  9.138                -42.408
 RC180  Fr= 1--       0.010                 -0.382                 -0.135
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.06  -0.01     0.26  -0.16  -0.22     0.14   0.10  -0.01
     2  16     0.04  -0.00  -0.00    -0.16   0.04   0.04    -0.05   0.01   0.00
     3   6    -0.22  -0.06   0.17     0.08   0.01   0.06    -0.00   0.02   0.03
     4   7     0.09  -0.11  -0.02     0.02   0.00  -0.00     0.00  -0.08   0.01
     5   6    -0.13   0.17   0.15     0.16   0.14   0.28    -0.15  -0.05  -0.15
     6   8     0.04   0.19  -0.16    -0.07  -0.05  -0.07     0.03   0.08   0.00
     7   8     0.11  -0.15  -0.02    -0.02   0.00  -0.09    -0.00  -0.05   0.08
     8   1    -0.36  -0.03   0.16    -0.25  -0.02  -0.00     0.10  -0.06   0.02
     9   1    -0.01   0.18   0.06     0.38  -0.42  -0.26     0.41  -0.28  -0.05
    10   1    -0.05  -0.08  -0.22     0.08  -0.15   0.15    -0.02   0.12   0.41
    11   1     0.46   0.06  -0.21     0.00   0.03   0.03     0.03  -0.05  -0.12
    12   1     0.23   0.22  -0.30    -0.01  -0.07   0.06     0.04  -0.08  -0.14
    13   1     0.11  -0.05  -0.07     0.03   0.04  -0.03     0.00   0.06  -0.08
    14   1     0.01   0.01   0.00     0.38  -0.12  -0.00     0.59  -0.19  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    801.1477               855.5672               862.5294
 Red. masses --      2.2970                 2.0354                 1.2702
 Frc consts  --      0.8686                 0.8778                 0.5567
 IR Inten    --      1.4021                28.6318                55.7951
 RamAct Fr= 1--      4.5850                10.5222                 2.9012
  Dep-P Fr= 1--      0.2704                 0.0509                 0.2779
  Dep-U Fr= 1--      0.4256                 0.0969                 0.4350
 Alpha2 Fr= 1--      0.0513                 0.2074                 0.0318
 Beta2  Fr= 1--      0.3253                 0.1700                 0.2103
 AlphaG Fr= 1--      0.0322                -0.1303                 0.0994
 Gamma2 Fr= 1--     -0.9275                 0.5719                 0.1831
 Delta2 Fr= 1--     -0.2422                -0.0303                 0.2408
 Raman1 Fr= 1--      18.340                 42.089                 11.605
 ROA1   Fr= 1--     -96.788                 53.932                 25.284
 CID1   Fr= 1--      -5.277                  1.281                  2.179
 Raman2 Fr= 1--       3.903                  2.040                  2.524
 ROA2   Fr= 1--     -20.321                 13.968                  2.468
 CID2   Fr= 1--      -5.206                  6.847                  0.978
 Raman3 Fr= 1--       7.806                  4.080                  5.048
 ROA3   Fr= 1--     -96.788                 53.932                 25.284
 CID3   Fr= 1--     -12.399                 13.219                  5.009
 RC180  Fr= 1--      -0.149                 -0.806                 -0.130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18  -0.15  -0.00    -0.03   0.11   0.04    -0.00  -0.02   0.00
     2  16    -0.04   0.02   0.02     0.01  -0.02  -0.00    -0.01   0.00  -0.00
     3   6     0.04  -0.01  -0.02     0.12  -0.00  -0.11    -0.06  -0.02   0.06
     4   7     0.02   0.08  -0.02     0.03  -0.05  -0.06    -0.02   0.02  -0.03
     5   6    -0.12  -0.02  -0.09    -0.03   0.07   0.10     0.00  -0.04  -0.06
     6   8     0.02   0.07  -0.01    -0.01   0.06  -0.04     0.01  -0.02   0.04
     7   8    -0.04  -0.07   0.07    -0.08  -0.09   0.02     0.02   0.02  -0.06
     8   1     0.17   0.07   0.02     0.05  -0.01  -0.12    -0.03   0.06   0.09
     9   1    -0.00   0.35   0.09    -0.11  -0.12  -0.04     0.14   0.06   0.05
    10   1     0.38  -0.17  -0.43    -0.11   0.12   0.22    -0.04  -0.04  -0.05
    11   1     0.13   0.04   0.06     0.32   0.22   0.42     0.36   0.35   0.77
    12   1    -0.06  -0.04   0.17    -0.15  -0.40   0.37    -0.02   0.11   0.12
    13   1    -0.08  -0.09   0.13    -0.17  -0.28   0.17     0.13   0.01  -0.08
    14   1    -0.50   0.15   0.04    -0.10   0.04   0.01     0.22  -0.05  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    902.8570               951.4204              1026.8728
 Red. masses --      1.7074                 1.7138                 1.7152
 Frc consts  --      0.8200                 0.9140                 1.0656
 IR Inten    --     50.3150                64.7873                50.6663
 RamAct Fr= 1--      4.4389                 0.9089                 5.0492
  Dep-P Fr= 1--      0.6229                 0.7052                 0.2240
  Dep-U Fr= 1--      0.7676                 0.8271                 0.3660
 Alpha2 Fr= 1--      0.0103                 0.0007                 0.0643
 Beta2  Fr= 1--      0.5679                 0.1253                 0.3080
 AlphaG Fr= 1--      0.0112                -0.0004                -0.0081
 Gamma2 Fr= 1--     -0.1629                 0.5179                 1.2030
 Delta2 Fr= 1--     -0.1979                 0.0295                 0.2831
 Raman1 Fr= 1--      17.756                  3.635                 20.197
 ROA1   Fr= 1--     -21.970                 50.661                124.549
 CID1   Fr= 1--      -1.237                 13.935                  6.167
 Raman2 Fr= 1--       6.815                  1.503                  3.696
 ROA2   Fr= 1--      -2.327                 12.193                 26.607
 CID2   Fr= 1--      -0.341                  8.110                  7.199
 Raman3 Fr= 1--      13.629                  3.007                  7.392
 ROA3   Fr= 1--     -21.970                 50.661                124.549
 CID3   Fr= 1--      -1.612                 16.848                 16.850
 RC180  Fr= 1--       0.535                  0.654                 -0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.08  -0.02    -0.08  -0.05  -0.08     0.00  -0.04   0.14
     2  16    -0.00   0.00  -0.02     0.01  -0.00  -0.00    -0.02   0.02  -0.02
     3   6     0.09  -0.05   0.09     0.16   0.03   0.02    -0.00   0.01  -0.15
     4   7     0.05   0.11  -0.05    -0.04  -0.00   0.08    -0.05  -0.03   0.03
     5   6    -0.02   0.00  -0.01    -0.01   0.03  -0.01     0.06   0.05   0.05
     6   8    -0.01   0.02   0.00    -0.00   0.04  -0.01    -0.01   0.01  -0.02
     7   8     0.00   0.00   0.02    -0.05  -0.06   0.04    -0.04  -0.05   0.02
     8   1     0.22   0.09   0.15     0.29  -0.15  -0.02     0.27   0.14  -0.06
     9   1     0.08   0.08   0.06    -0.18  -0.09  -0.11     0.03   0.30   0.23
    10   1    -0.29  -0.12  -0.22    -0.11  -0.05  -0.07     0.12  -0.06  -0.22
    11   1    -0.05  -0.06  -0.21     0.08   0.05   0.24    -0.06  -0.05   0.04
    12   1    -0.13  -0.29   0.27     0.07   0.09  -0.33     0.11   0.38  -0.16
    13   1    -0.27  -0.01   0.17     0.27   0.57  -0.41     0.19  -0.20   0.03
    14   1     0.59  -0.14  -0.04    -0.06   0.00  -0.00     0.57  -0.17  -0.06
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1105.7082              1177.1561              1214.3795
 Red. masses --      2.7591                 1.2987                 2.2243
 Frc consts  --      1.9874                 1.0603                 1.9327
 IR Inten    --     15.6935                12.4494                12.9120
 RamAct Fr= 1--      2.2694                 1.6469                 5.5671
  Dep-P Fr= 1--      0.6986                 0.6931                 0.5244
  Dep-U Fr= 1--      0.8226                 0.8187                 0.6880
 Alpha2 Fr= 1--      0.0020                 0.0016                 0.0244
 Beta2  Fr= 1--      0.3111                 0.2247                 0.6384
 AlphaG Fr= 1--     -0.0013                 0.0014                -0.0380
 Gamma2 Fr= 1--     -0.4908                -1.8026                 2.6350
 Delta2 Fr= 1--     -0.0619                -1.2478                 1.1715
 Raman1 Fr= 1--       9.078                  6.587                 22.268
 ROA1   Fr= 1--     -49.093               -212.981                290.450
 CID1   Fr= 1--      -5.408                -32.331                 13.043
 Raman2 Fr= 1--       3.734                  2.697                  7.661
 ROA2   Fr= 1--     -11.283                -33.280                 53.869
 CID2   Fr= 1--      -3.022                -12.341                  7.032
 Raman3 Fr= 1--       7.467                  5.393                 15.321
 ROA3   Fr= 1--     -49.093               -212.981                290.450
 CID3   Fr= 1--      -6.575                -39.489                 18.957
 RC180  Fr= 1--       0.645                  0.637                  0.376
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.10  -0.04     0.01  -0.01   0.08    -0.03  -0.00  -0.02
     2  16    -0.00   0.01  -0.01    -0.01   0.01  -0.01    -0.00   0.01  -0.01
     3   6     0.02   0.30   0.02    -0.00  -0.07  -0.04    -0.08   0.00   0.08
     4   7     0.05  -0.17   0.04     0.03   0.05   0.01     0.02   0.00  -0.03
     5   6    -0.06  -0.05   0.00    -0.06  -0.02   0.04     0.20   0.08  -0.14
     6   8     0.03  -0.04   0.01     0.01  -0.01   0.00    -0.04   0.06  -0.01
     7   8     0.01   0.04  -0.02     0.01   0.03  -0.03    -0.02  -0.10   0.06
     8   1    -0.12   0.53   0.08    -0.30  -0.42  -0.20    -0.07  -0.14   0.04
     9   1    -0.29   0.06  -0.04    -0.30   0.06   0.05    -0.32  -0.09  -0.09
    10   1     0.46  -0.03  -0.09     0.46   0.04   0.04     0.54   0.08   0.13
    11   1     0.07   0.07  -0.03     0.12   0.09  -0.05    -0.41  -0.30   0.33
    12   1    -0.03  -0.40   0.10    -0.05  -0.28  -0.01    -0.06  -0.11   0.16
    13   1    -0.05  -0.08   0.01    -0.05   0.38  -0.16    -0.10  -0.01   0.04
    14   1     0.21  -0.07  -0.03     0.27  -0.09  -0.03     0.11  -0.04  -0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1276.1510              1298.6841              1339.4352
 Red. masses --      1.2165                 1.2574                 1.5244
 Frc consts  --      1.1672                 1.2495                 1.6114
 IR Inten    --     10.5564                 5.2452                 4.4470
 RamAct Fr= 1--      1.3796                 5.7749                 2.6384
  Dep-P Fr= 1--      0.7465                 0.2327                 0.3752
  Dep-U Fr= 1--      0.8548                 0.3775                 0.5456
 Alpha2 Fr= 1--      0.0001                 0.0718                 0.0213
 Beta2  Fr= 1--      0.1966                 0.3634                 0.2399
 AlphaG Fr= 1--     -0.0006                 0.0717                 0.0142
 Gamma2 Fr= 1--     -0.0152                -2.0248                -0.2298
 Delta2 Fr= 1--      0.7278                -0.2640                -0.5724
 Raman1 Fr= 1--       5.519                 23.100                 10.554
 ROA1   Fr= 1--      21.830               -202.833                -40.376
 CID1   Fr= 1--       3.956                 -8.781                 -3.826
 Raman2 Fr= 1--       2.359                  4.360                  2.879
 ROA2   Fr= 1--      -6.188                -46.484                 -0.936
 CID2   Fr= 1--      -2.623                -10.660                 -0.325
 Raman3 Fr= 1--       4.717                  8.721                  5.758
 ROA3   Fr= 1--      21.830               -202.833                -40.376
 CID3   Fr= 1--       4.627                -23.258                 -7.012
 RC180  Fr= 1--       0.710                 -0.245                  0.091
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.01  -0.05    -0.04  -0.02   0.02     0.09  -0.01   0.01
     2  16     0.00   0.00   0.01     0.00  -0.00   0.01     0.00  -0.00  -0.00
     3   6    -0.05  -0.02  -0.00    -0.05   0.01  -0.09    -0.16   0.09  -0.02
     4   7     0.01   0.01  -0.02     0.04  -0.00   0.05     0.05  -0.01   0.00
     5   6    -0.03   0.01   0.06     0.04   0.01  -0.01     0.02   0.01   0.03
     6   8     0.01  -0.03   0.00    -0.01   0.02  -0.01     0.01  -0.02  -0.00
     7   8     0.00   0.02  -0.01     0.00  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.66  -0.12   0.08    -0.19   0.18  -0.07     0.60  -0.34  -0.03
     9   1     0.37  -0.05   0.01     0.66   0.16   0.18    -0.32   0.05  -0.04
    10   1     0.57   0.11   0.17    -0.11  -0.04  -0.05    -0.47  -0.09  -0.06
    11   1     0.06   0.05  -0.05    -0.14  -0.09   0.11    -0.02  -0.01   0.04
    12   1     0.00   0.03   0.02    -0.07  -0.41   0.04    -0.04  -0.27   0.08
    13   1    -0.04  -0.01   0.02    -0.03   0.38  -0.15    -0.09   0.19  -0.06
    14   1    -0.10   0.02   0.01    -0.12   0.04   0.02     0.03  -0.01  -0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1372.5524              1408.4717              1467.8180
 Red. masses --      1.3481                 1.5633                 1.0844
 Frc consts  --      1.4963                 1.8272                 1.3766
 IR Inten    --     29.5188               403.3369                 6.4849
 RamAct Fr= 1--      2.9960                 4.3158                 5.6823
  Dep-P Fr= 1--      0.5138                 0.1988                 0.6128
  Dep-U Fr= 1--      0.6789                 0.3317                 0.7599
 Alpha2 Fr= 1--      0.0138                 0.0588                 0.0143
 Beta2  Fr= 1--      0.3390                 0.2386                 0.7197
 AlphaG Fr= 1--     -0.0523                 0.0141                 0.0021
 Gamma2 Fr= 1--     -0.3475                -0.4297                 0.1436
 Delta2 Fr= 1--     -0.6785                -0.2419                -0.1806
 Raman1 Fr= 1--      11.984                 17.263                 22.729
 ROA1   Fr= 1--     -55.068                -48.989                  8.003
 CID1   Fr= 1--      -4.595                 -2.838                  0.352
 Raman2 Fr= 1--       4.068                  2.863                  8.636
 ROA2   Fr= 1--      -2.911                 -8.377                  4.890
 CID2   Fr= 1--      -0.716                 -2.926                  0.566
 Raman3 Fr= 1--       8.135                  5.726                 17.272
 ROA3   Fr= 1--     -55.068                -48.989                  8.003
 CID3   Fr= 1--      -6.769                 -8.555                  0.463
 RC180  Fr= 1--       0.358                 -0.337                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.04  -0.01     0.00   0.00  -0.01     0.01  -0.05  -0.06
     2  16    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.04  -0.13  -0.04    -0.05  -0.03   0.00     0.01  -0.02  -0.00
     4   7     0.00   0.01   0.04     0.01  -0.01   0.01    -0.00   0.00   0.00
     5   6    -0.03  -0.01   0.03     0.12   0.05  -0.08    -0.00  -0.00   0.00
     6   8    -0.01   0.02  -0.01    -0.00  -0.05   0.02    -0.00   0.00  -0.00
     7   8     0.03   0.00  -0.02    -0.10  -0.01   0.06     0.00   0.00  -0.00
     8   1     0.21   0.76   0.27    -0.03   0.19   0.07    -0.01   0.06   0.01
     9   1    -0.36  -0.15  -0.13    -0.03  -0.01  -0.01    -0.13   0.67   0.12
    10   1     0.07   0.04   0.02     0.02   0.01   0.02    -0.10   0.03   0.71
    11   1    -0.10  -0.06   0.09     0.66   0.43  -0.52    -0.01  -0.01  -0.00
    12   1    -0.02  -0.14  -0.01     0.01  -0.03  -0.00     0.01   0.03  -0.01
    13   1     0.02   0.21  -0.09    -0.03   0.13  -0.05    -0.01  -0.00   0.01
    14   1     0.03  -0.01  -0.01    -0.01   0.00  -0.00     0.01  -0.01  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1664.3614              1840.5591              2664.7513
 Red. masses --      1.0868                 9.6411                 1.0385
 Frc consts  --      1.7738                19.2432                 4.3446
 IR Inten    --     41.1598               329.8560                 1.6877
 RamAct Fr= 1--      4.1242                14.3883               116.6418
  Dep-P Fr= 1--      0.5479                 0.3215                 0.2020
  Dep-U Fr= 1--      0.7080                 0.4866                 0.3361
 Alpha2 Fr= 1--      0.0160                 0.1382                 1.5758
 Beta2  Fr= 1--      0.4866                 1.1668                 6.5331
 AlphaG Fr= 1--     -0.0256                -0.0706                 0.1213
 Gamma2 Fr= 1--     -0.6901                -0.3284                -0.1621
 Delta2 Fr= 1--     -0.4704                 0.5405                -1.3838
 Raman1 Fr= 1--      16.497                 57.553                466.567
 ROA1   Fr= 1--     -81.305                -14.234                -59.846
 CID1   Fr= 1--      -4.929                 -0.247                 -0.128
 Raman2 Fr= 1--       5.840                 14.002                 78.397
 ROA2   Fr= 1--     -12.799                -12.206                  7.180
 CID2   Fr= 1--      -2.192                 -0.872                  0.092
 Raman3 Fr= 1--      11.679                 28.003                156.795
 ROA3   Fr= 1--     -81.305                -14.234                -59.846
 CID3   Fr= 1--      -6.962                 -0.508                 -0.382
 RC180  Fr= 1--       0.416                 -0.027                 -0.328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.01   0.01   0.01    -0.00  -0.00   0.00
     2  16    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01  -0.03
     3   6     0.02   0.00  -0.02     0.02  -0.04   0.00    -0.00  -0.00   0.00
     4   7     0.02  -0.07  -0.02     0.00  -0.01   0.00    -0.00   0.00   0.00
     5   6    -0.01  -0.01   0.01    -0.28   0.64  -0.17     0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.17  -0.39   0.10    -0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00     0.05  -0.05   0.00    -0.00   0.00   0.00
     8   1    -0.02   0.03  -0.02    -0.13   0.09  -0.02     0.00   0.00   0.00
     9   1     0.01  -0.00   0.00    -0.01  -0.00   0.01     0.00   0.00  -0.02
    10   1    -0.01  -0.01  -0.01    -0.05   0.01  -0.02    -0.00   0.00   0.00
    11   1    -0.03  -0.02   0.00    -0.38  -0.19   0.27     0.00   0.00  -0.00
    12   1     0.09   0.55   0.45    -0.00  -0.01   0.04    -0.00   0.00  -0.00
    13   1    -0.54   0.42  -0.06    -0.01   0.02  -0.01     0.00  -0.00  -0.00
    14   1     0.00   0.01   0.00     0.00   0.00   0.00    -0.05  -0.36   0.93
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3030.1986              3067.6502              3136.4287
 Red. masses --      1.0838                 1.0638                 1.1015
 Frc consts  --      5.8635                 5.8982                 6.3840
 IR Inten    --     15.7019                 6.3813                 0.8434
 RamAct Fr= 1--     93.2948                55.5946                43.3252
  Dep-P Fr= 1--      0.1918                 0.0645                 0.4597
  Dep-U Fr= 1--      0.3218                 0.1212                 0.6298
 Alpha2 Fr= 1--      1.2948                 1.0607                 0.2553
 Beta2  Fr= 1--      5.0039                 1.1230                 4.5480
 AlphaG Fr= 1--     -0.3489                 0.1531                 0.1844
 Gamma2 Fr= 1--      3.8013                -2.9187                -0.4458
 Delta2 Fr= 1--      3.7004                -1.7412                 0.6432
 Raman1 Fr= 1--     373.179                222.378                173.301
 ROA1   Fr= 1--     483.337               -335.916                -22.212
 CID1   Fr= 1--       1.295                 -1.511                 -0.128
 Raman2 Fr= 1--      60.047                 13.476                 54.577
 ROA2   Fr= 1--      61.628                -56.120                -15.844
 CID2   Fr= 1--       1.026                 -4.164                 -0.290
 Raman3 Fr= 1--     120.095                 26.952                109.153
 ROA3   Fr= 1--     483.337               -335.916                -22.212
 CID3   Fr= 1--       4.025                -12.463                 -0.203
 RC180  Fr= 1--      -0.356                 -0.758                  0.260
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01     0.01  -0.02  -0.07     0.00  -0.08   0.04
     2  16    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.01   0.02  -0.08     0.00   0.00  -0.01    -0.00  -0.00   0.01
     4   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   1    -0.15  -0.28   0.93    -0.03  -0.05   0.16     0.01   0.02  -0.06
     9   1     0.03   0.05  -0.17    -0.14  -0.23   0.85     0.06   0.09  -0.38
    10   1    -0.00  -0.02   0.00    -0.05   0.41  -0.06    -0.11   0.90  -0.09
    11   1     0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3449.4668              3481.3798              3558.3569
 Red. masses --      1.0632                 1.0531                 1.0910
 Frc consts  --      7.4534                 7.5201                 8.1390
 IR Inten    --    225.5706                11.9399                22.6738
 RamAct Fr= 1--     93.9538                73.3940                45.4675
  Dep-P Fr= 1--      0.0597                 0.1097                 0.5819
  Dep-U Fr= 1--      0.1127                 0.1978                 0.7357
 Alpha2 Fr= 1--      1.8133                 1.2547                 0.1431
 Beta2  Fr= 1--      1.7647                 2.4190                 5.5753
 AlphaG Fr= 1--      0.5654                 0.0883                -0.0424
 Gamma2 Fr= 1--     -4.2824                15.3774               -12.0766
 Delta2 Fr= 1--     -3.4872                 5.8646                -1.9809
 Raman1 Fr= 1--     375.815                293.576                181.870
 ROA1   Fr= 1--    -522.703               1663.901              -1222.743
 CID1   Fr= 1--      -1.391                  5.668                 -6.723
 Raman2 Fr= 1--      21.177                 29.028                 66.904
 ROA2   Fr= 1--     -74.881                322.142               -273.991
 CID2   Fr= 1--      -3.536                 11.098                 -4.095
 Raman3 Fr= 1--      42.353                 58.056                133.807
 ROA3   Fr= 1--    -522.703               1663.901              -1222.743
 CID3   Fr= 1--     -12.341                 28.660                 -9.138
 RC180  Fr= 1--      -0.775                 -0.604                  0.471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2  16     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   7     0.01  -0.01  -0.00    -0.04   0.03   0.02    -0.05  -0.02  -0.05
     5   6    -0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   8     0.03  -0.05   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
     8   1     0.00  -0.01   0.01     0.00  -0.01  -0.00    -0.00  -0.00   0.01
     9   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   1    -0.51   0.80  -0.10    -0.16   0.25  -0.03    -0.01   0.02  -0.00
    12   1    -0.25   0.07  -0.05     0.77  -0.21   0.17     0.48  -0.14   0.07
    13   1     0.05   0.07   0.11    -0.18  -0.24  -0.40     0.27   0.42   0.70
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   412.111121539.027661780.76180
           X            0.99988   0.01426  -0.00658
           Y           -0.01410   0.99961   0.02415
           Z            0.00692  -0.02406   0.99969
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21017     0.05628     0.04864
 Rotational constants (GHZ):           4.37926     1.17265     1.01347
 Zero-point vibrational energy     284531.4 (Joules/Mol)
                                   68.00463 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    109.75   159.34   248.64   358.17   390.49
          (Kelvin)            478.65   506.71   589.51   792.09   943.76
                              948.30  1116.02  1152.67  1230.97  1240.99
                             1299.01  1368.88  1477.44  1590.87  1693.67
                             1747.22  1836.10  1868.52  1927.15  1974.80
                             2026.48  2111.86  2394.64  2648.15  3833.98
                             4359.78  4413.66  4512.62  4963.01  5008.93
                             5119.68
 
 Zero-point correction=                           0.108372 (Hartree/Particle)
 Thermal correction to Energy=                    0.116278
 Thermal correction to Enthalpy=                  0.117222
 Thermal correction to Gibbs Free Energy=         0.075529
 Sum of electronic and zero-point Energies=           -722.019078
 Sum of electronic and thermal Energies=              -722.011173
 Sum of electronic and thermal Enthalpies=            -722.010228
 Sum of electronic and thermal Free Energies=         -722.051922
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.966             28.060             87.751
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.515
 Vibrational             71.188             22.099             18.950
 Vibration     1          0.599              1.965              3.984
 Vibration     2          0.607              1.941              3.256
 Vibration     3          0.626              1.876              2.405
 Vibration     4          0.662              1.765              1.738
 Vibration     5          0.675              1.726              1.587
 Vibration     6          0.715              1.610              1.247
 Vibration     7          0.729              1.571              1.156
 Vibration     8          0.774              1.449              0.928
 Vibration     9          0.906              1.139              0.543
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.181632D-34        -34.740808        -79.993668
 Total V=0       0.127918D+16         15.106931         34.784995
 Vib (Bot)       0.912377D-48        -48.039826       -110.615786
 Vib (Bot)    1  0.270141D+01          0.431590          0.993772
 Vib (Bot)    2  0.184909D+01          0.266958          0.614694
 Vib (Bot)    3  0.116508D+01          0.066357          0.152792
 Vib (Bot)    4  0.784401D+00         -0.105462         -0.242835
 Vib (Bot)    5  0.711577D+00         -0.147778         -0.340271
 Vib (Bot)    6  0.560718D+00         -0.251256         -0.578538
 Vib (Bot)    7  0.523130D+00         -0.281390         -0.647926
 Vib (Bot)    8  0.431886D+00         -0.364631         -0.839594
 Vib (Bot)    9  0.284912D+00         -0.545290         -1.255576
 Vib (V=0)       0.642561D+02          1.807914          4.162876
 Vib (V=0)    1  0.324729D+01          0.511521          1.177820
 Vib (V=0)    2  0.241550D+01          0.383007          0.881906
 Vib (V=0)    3  0.176784D+01          0.247443          0.569758
 Vib (V=0)    4  0.143021D+01          0.155399          0.357819
 Vib (V=0)    5  0.136968D+01          0.136619          0.314577
 Vib (V=0)    6  0.125127D+01          0.097350          0.224158
 Vib (V=0)    7  0.122365D+01          0.087656          0.201836
 Vib (V=0)    8  0.116070D+01          0.064720          0.149024
 Vib (V=0)    9  0.107548D+01          0.031601          0.072765
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.380434D+06          5.580279         12.849067
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33           3 33            2                             1     1      1 1 1111 11  1  1                                    
     5  44           1 00            6                             8     6      4 4 3322 21  1  0  9988 87  66   5    4 33 22 1  1   
     5  84           3 63            6                             4     6      6 0 7397 17  0  2  5065 07  55   5    1 53 74 7  17  
     8  19           6 80            5                             1     4      8 8 3996 47  6  7  1336 16  96   1    0 23 19 3  16  
 
     X  XX           X XX            X                             X     X      X X XXXX XX  X  X  XXXX XX  XX   X    X XX XX X  XX  
         X                                                         X     X        X             X  XXX                               
         X                                                         X              X             X  X X                               
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000047951   -0.000001086    0.000017996
      2       16          -0.000023852    0.000008089    0.000001505
      3        6          -0.000014692   -0.000042433   -0.000034546
      4        7           0.000003549    0.000022768   -0.000014491
      5        6           0.000001142    0.000019273    0.000012402
      6        8          -0.000002227   -0.000010824    0.000000620
      7        8          -0.000011762    0.000007621    0.000005383
      8        1           0.000004517   -0.000002196    0.000002534
      9        1          -0.000001614    0.000000936    0.000002810
     10        1          -0.000010091   -0.000002080   -0.000003577
     11        1           0.000007943   -0.000009045   -0.000004903
     12        1          -0.000003936    0.000001959    0.000008378
     13        1          -0.000001057    0.000005800    0.000005592
     14        1           0.000004132    0.000001217    0.000000296
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000047951 RMS     0.000014302
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.912064D+02 -0.922016D+00 -0.239305D+01
      2  -0.922016D+00  0.751931D+02 -0.220816D+01
      3  -0.239305D+01 -0.220816D+01  0.637924D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.379261D+01  0.131008D+01 -0.122646D+01
      2   0.391628D+00 -0.842152D+01 -0.291285D+02
      3   0.827779D+01  0.152689D+02  0.656508D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.974055D+02 -0.180853D+02 -0.154222D+02
      2   0.556709D+02  0.136211D+02  0.452738D+01
      3   0.417345D+02  0.446426D+01  0.108948D+02
      4  -0.215957D+02 -0.130777D+02 -0.178081D+02
      5  -0.586762D+01 -0.186667D+02 -0.459897D+02
      6  -0.456079D+01  0.124869D+02  0.202890D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103299D+02 -0.218267D+01 -0.134256D+01 -0.532033D+01 -0.230114D+01
      2  -0.218267D+01  0.156427D+00  0.205710D+00 -0.230114D+01  0.380753D+01
      3  -0.134256D+01  0.205710D+00 -0.553299D+00 -0.579382D+00 -0.718880D-01
                 6             7             8             9            10 
      1  -0.579382D+00 -0.435241D+01 -0.296083D+00 -0.153938D+01 -0.178998D+02
      2  -0.718880D-01 -0.296083D+00 -0.123140D+01 -0.104431D+01  0.174207D+01
      3  -0.168335D+01 -0.153938D+01 -0.104431D+01  0.477064D+01 -0.300292D+00
                11            12            13            14            15 
      1   0.174207D+01 -0.300292D+00  0.412134D+01 -0.333292D+01  0.174106D-01
      2  -0.277156D+01 -0.515565D+00 -0.333292D+01  0.129361D+00 -0.862394D+00
      3  -0.515565D+00 -0.106465D+01  0.174106D-01 -0.862394D+00  0.290736D+01
                16            17            18            19            20 
      1  -0.998413D+00 -0.263453D+00 -0.241146D+01 -0.143178D+01  0.142052D+01
      2  -0.263453D+00 -0.160469D+01  0.248290D+01  0.142052D+01  0.770265D+00
      3  -0.241146D+01  0.248290D+01 -0.696945D+01  0.128896D+01 -0.229879D+00
                21            22            23            24            25 
      1   0.128896D+01  0.490688D+01  0.603703D+00  0.446666D+00  0.493080D+01
      2  -0.229879D+00  0.603703D+00 -0.205121D+01 -0.624363D+00 -0.130672D+00
      3   0.944699D+00  0.446666D+00 -0.624363D+00  0.209006D+01  0.154075D+01
                26            27            28            29            30 
      1  -0.130672D+00  0.154075D+01  0.507840D+01  0.289264D+00 -0.289893D+00
      2  -0.206393D+00  0.305261D+01  0.289264D+00  0.960687D+00  0.171915D+00
      3   0.305261D+01 -0.494266D+01 -0.289893D+00  0.171915D+00 -0.143637D+01
                31            32            33            34            35 
      1  -0.150659D+01  0.355206D-01 -0.724952D+00 -0.460254D+00 -0.754466D+00
      2   0.355206D-01  0.289636D+01 -0.126709D+01 -0.754466D+00 -0.277745D+01
      3  -0.724952D+00 -0.126709D+01 -0.172355D+01 -0.153781D+01 -0.207308D+01
                36            37            38            39            40 
      1  -0.153781D+01  0.243194D+01 -0.750950D-01 -0.872620D+00  0.141376D+01
      2  -0.207308D+01 -0.750950D-01 -0.138102D+01  0.146616D+01 -0.319249D+01
      3  -0.199685D+01 -0.872620D+00  0.146616D+01  0.111255D+00  0.142694D+01
                41            42            43            44            45 
      1  -0.319249D+01  0.142694D+01 -0.850309D+00  0.187676D+01 -0.467588D+00
      2   0.473996D+01 -0.820559D+00  0.187676D+01 -0.114784D+01 -0.465641D+00
      3  -0.820559D+00  0.149252D+00 -0.467588D+00 -0.465641D+00  0.490257D+00
                46            47            48            49            50 
      1   0.464261D+01 -0.405614D+01  0.143124D+01 -0.587469D+01  0.424091D+01
      2  -0.405614D+01  0.299932D+01 -0.104706D+01  0.424091D+01 -0.108624D+02
      3   0.143124D+01 -0.104706D+01  0.915057D+00 -0.716714D+00  0.178206D+01
                51            52            53            54            55 
      1  -0.716714D+00  0.161206D+01 -0.868662D+00  0.204308D+01  0.625363D+01
      2   0.178206D+01 -0.868662D+00  0.133922D+01 -0.282395D+01  0.110642D+01
      3  -0.236948D+01  0.204308D+01 -0.282395D+01  0.219758D+01 -0.239560D+01
                56            57            58            59            60 
      1   0.110642D+01 -0.239560D+01 -0.147713D+01  0.368127D+01  0.397995D+00
      2   0.257425D+01 -0.536979D+00  0.368127D+01 -0.497197D+00 -0.668213D+00
      3  -0.536979D+00  0.144151D+01  0.397995D+00 -0.668213D+00  0.148548D-01
                61            62            63            64            65 
      1  -0.238903D+01 -0.931621D+00  0.181301D+01 -0.501387D+00 -0.711823D+00
      2  -0.931621D+00 -0.114567D+00  0.119823D+01 -0.711823D+00 -0.388693D+00
      3   0.181301D+01  0.119823D+01 -0.277152D+01  0.882849D+00  0.771024D-01
                66            67            68            69            70 
      1   0.882849D+00 -0.134600D+01 -0.358253D+00  0.128074D-02  0.957168D+00
      2   0.771024D-01 -0.358253D+00 -0.109080D+01  0.146045D+01  0.972443D-01
      3  -0.860116D+00  0.128074D-02  0.146045D+01 -0.170872D+01 -0.244893D+00
                71            72            73            74            75 
      1   0.972443D-01 -0.244893D+00 -0.404990D+00  0.403078D+00 -0.708614D+00
      2   0.212320D+01 -0.187173D+01  0.403078D+00  0.111111D+00  0.167246D-01
      3  -0.187173D+01  0.696140D+01 -0.708614D+00  0.167246D-01  0.838295D+00
                76            77            78            79            80 
      1   0.156240D+01  0.483800D+00 -0.132139D+00 -0.183243D+01 -0.127020D+00
      2   0.483800D+00  0.920006D-01 -0.889153D+00 -0.127020D+00 -0.984689D+00
      3  -0.132139D+00 -0.889153D+00  0.142669D+01  0.108760D+01  0.196890D-01
                81            82            83            84            85 
      1   0.108760D+01  0.229910D+00 -0.700087D+00  0.159371D+00 -0.253748D+01
      2   0.196890D-01 -0.700087D+00  0.440613D+00  0.915869D-01  0.160643D+01
      3  -0.733449D+01  0.159371D+00  0.915869D-01  0.195714D+00  0.224197D+00
                86            87            88            89            90 
      1   0.160643D+01  0.224197D+00  0.119376D+01 -0.681081D-01  0.370500D+00
      2  -0.681769D+01 -0.707064D+00 -0.681081D-01  0.388701D+00 -0.753413D+00
      3  -0.707064D+00 -0.797375D+00  0.370500D+00 -0.753413D+00 -0.377220D+00
                91            92            93            94            95 
      1  -0.219660D+01  0.164879D+01  0.962351D+00  0.392194D+01 -0.473762D+00
      2   0.164879D+01 -0.102855D+01 -0.865762D-01 -0.473762D+00  0.415388D+01
      3   0.962351D+00 -0.865762D-01 -0.308095D+00 -0.117260D+01 -0.885756D+00
                96            97            98            99           100 
      1  -0.117260D+01  0.465154D-01 -0.228145D+00  0.308531D+00 -0.640917D+01
      2  -0.885756D+00 -0.228145D+00 -0.972966D+00  0.858506D+00  0.710644D+00
      3   0.150774D+01  0.308531D+00  0.858506D+00 -0.143046D+01 -0.643750D+00
               101           102           103           104           105 
      1   0.710644D+00 -0.643750D+00  0.226824D+01 -0.117670D+01 -0.125008D+00
      2  -0.334874D+01 -0.293881D+00 -0.117670D+01  0.242912D+01  0.181242D+00
      3  -0.293881D+00 -0.675202D+00 -0.125008D+00  0.181242D+00  0.719739D+00
               106           107           108           109           110 
      1  -0.136198D+01 -0.772998D-01  0.283417D-01  0.948436D+00  0.891087D+00
      2  -0.772998D-01 -0.277737D+00  0.725513D+00  0.891087D+00  0.123005D+01
      3   0.283417D-01  0.725513D+00 -0.135390D+00  0.693374D+00  0.602307D+00
               111           112           113           114           115 
      1   0.693374D+00  0.847930D+00  0.814961D+00  0.497989D+00  0.117628D+01
      2   0.602307D+00  0.814961D+00  0.377910D+01  0.217986D+01  0.105319D+01
      3   0.163365D+01  0.497989D+00  0.217986D+01  0.248314D+01  0.133622D+01
               116           117           118           119           120 
      1   0.105319D+01  0.133622D+01 -0.107106D+01 -0.486049D+00  0.113519D+01
      2   0.348914D+01  0.326629D+01 -0.486049D+00 -0.324154D+00  0.784371D-01
      3   0.326629D+01  0.363436D+01  0.113519D+01  0.784371D-01 -0.118245D+01
               121           122           123           124           125 
      1  -0.980257D+00 -0.631336D+00  0.438321D+00  0.232825D+01  0.718329D+00
      2  -0.631336D+00 -0.707995D+00  0.119288D+01  0.718329D+00  0.197749D+01
      3   0.438321D+00  0.119288D+01 -0.301634D+01 -0.232690D+01 -0.257162D+01
               126 
      1  -0.232690D+01
      2  -0.257162D+01
      3   0.790379D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.303973D+00 -0.384104D-01  0.621892D+00  0.663511D+00 -0.406871D+01
      2   0.480676D+01 -0.178483D+01  0.230024D+00  0.196703D+00 -0.600923D+00
      3  -0.557604D+01  0.538814D+01  0.243362D+01  0.114632D+02  0.463437D+01
                 6             7             8             9            10 
      1  -0.416274D+01 -0.154125D+01  0.161909D+01  0.468835D+01 -0.780005D+00
      2   0.782381D+00 -0.995661D+01  0.106295D+01 -0.313270D+01 -0.478176D+01
      3   0.180257D-01  0.995703D+00 -0.114408D+01  0.169990D+00  0.121651D+02
                11            12            13            14            15 
      1   0.115096D+01 -0.138030D+01  0.303626D+01 -0.177795D+00 -0.815374D+01
      2   0.147914D+01  0.808772D+01 -0.106918D+01  0.123366D+01 -0.741192D+01
      3  -0.132696D+02 -0.167933D+01  0.769878D+01  0.195253D+01 -0.254738D+01
                16            17            18            19            20 
      1  -0.502710D+00  0.708579D+01 -0.166352D+01 -0.350629D-01  0.237621D+00
      2  -0.937761D+01 -0.784247D+01  0.203594D+02  0.106193D+02  0.534886D+00
      3   0.426935D+00 -0.546442D+01  0.808387D+01 -0.514057D+01 -0.807858D+01
                21            22            23            24            25 
      1  -0.123196D+00 -0.339248D+01 -0.158515D+01  0.159430D+01  0.844754D-01
      2   0.474438D+01  0.622091D-01 -0.573955D+00 -0.852828D+00 -0.458589D+01
      3  -0.137798D+01 -0.305450D+00  0.136278D+01  0.267328D+01 -0.169019D+01
                26            27            28            29            30 
      1   0.321331D+01  0.639585D+00 -0.301222D+00  0.585788D+00  0.233556D+01
      2   0.163652D+01 -0.326566D+01 -0.165211D+01 -0.395339D+00  0.262017D+01
      3   0.138494D+01 -0.882455D+00  0.178310D+02 -0.424496D+01  0.111769D+01
                31            32            33            34            35 
      1   0.200755D+01  0.643061D+01 -0.202864D+01  0.307301D+01  0.827342D+01
      2  -0.458061D+00 -0.407849D+00  0.268001D+00 -0.372710D+01  0.226840D-01
      3   0.709795D+00 -0.207250D+01 -0.129190D+01  0.115780D+01 -0.158378D+00
                36            37            38            39            40 
      1   0.512480D+01  0.152999D+01  0.169887D+01 -0.297629D+01  0.180923D+01
      2  -0.586370D+00 -0.120987D+02  0.178452D+00 -0.408426D+01 -0.364387D+01
      3  -0.345422D+01  0.887468D+01  0.293824D+01 -0.514527D+00  0.717805D+01
                41            42            43            44            45 
      1   0.638898D+01  0.471990D+01 -0.213948D+00  0.593914D+01 -0.661830D+01
      2  -0.745802D+00  0.434267D+01 -0.151545D+02  0.161210D+01  0.659089D+01
      3  -0.135062D+02 -0.156024D+01  0.154213D+01 -0.295266D+01 -0.696305D+00
                46            47            48            49            50 
      1  -0.311794D+00  0.857219D+00  0.409521D+01  0.677629D+00 -0.288312D+01
      2   0.255762D+01 -0.830094D+00  0.653040D+01  0.428452D+01  0.247928D+01
      3   0.176171D+00 -0.838604D+01  0.143892D+01  0.376212D+01  0.213067D+02
                51            52            53            54            55 
      1  -0.912426D+01  0.566254D-01  0.188192D+01  0.250816D+01  0.227351D+01
      2  -0.708393D+01  0.320239D+01 -0.551692D+01  0.291518D+01  0.226055D+01
      3  -0.234848D+01  0.359365D-01 -0.146533D+01  0.538561D+01  0.545879D+01
                56            57            58            59            60 
      1  -0.487335D+01 -0.222812D+01 -0.493178D+01  0.230450D+01 -0.205237D+01
      2  -0.281228D+01  0.732692D+01 -0.822905D+00  0.904196D+00  0.228536D+00
      3  -0.147319D+02 -0.998426D-01 -0.119653D+02  0.564003D+01  0.321967D+01
                61            62            63            64            65 
      1  -0.947685D+00  0.309859D+01  0.191276D+01 -0.231662D+00 -0.664277D+00
      2   0.440803D+01  0.165449D+01 -0.806635D+01  0.761653D+00  0.211946D+00
      3  -0.141829D+01  0.247929D+01 -0.192230D+01 -0.169036D-01  0.170035D+00
                66            67            68            69            70 
      1  -0.109454D+00  0.401886D+00 -0.108652D+01 -0.540280D+00 -0.126701D+00
      2   0.963095D-01  0.960379D+00  0.994559D+00 -0.511353D+00 -0.312912D+01
      3   0.354389D+00  0.246287D+01  0.328836D+00 -0.881634D+00 -0.981563D+00
                71            72            73            74            75 
      1   0.344134D+01  0.753059D+00 -0.116226D+01 -0.704437D+00  0.409144D+00
      2  -0.798560D+00  0.282949D+01  0.171439D+01  0.377770D+00  0.403359D+00
      3  -0.421953D+00  0.704069D+00  0.355718D+00 -0.169678D+01  0.226155D+00
                76            77            78            79            80 
      1  -0.757885D+00 -0.733624D+00  0.772008D+00  0.817368D+00  0.274699D+01
      2   0.154757D+01  0.119562D+01 -0.131328D+01 -0.515672D+01 -0.338099D+00
      3   0.304705D+00 -0.188614D-01 -0.686581D+00  0.104002D+01 -0.246794D+00
                81            82            83            84            85 
      1  -0.513714D+01  0.108979D+01 -0.647048D+00  0.676886D+00 -0.172346D+01
      2   0.687784D+01  0.747034D-01 -0.956184D-01  0.141865D+01 -0.151033D+01
      3  -0.538052D+00 -0.299712D+01 -0.130153D+01 -0.641692D+00  0.530352D+01
                86            87            88            89            90 
      1   0.407739D+01 -0.217808D+01  0.786171D+00 -0.228241D+00 -0.446434D-01
      2   0.159372D+01  0.306278D+00 -0.715201D+00  0.236626D+00  0.453701D+00
      3  -0.529065D+01 -0.495639D+00 -0.151031D+01  0.345727D+00 -0.829298D+00
                91            92            93            94            95 
      1  -0.371842D+01  0.403123D+01  0.234561D+00  0.483952D+01 -0.391289D+01
      2  -0.284652D+01  0.225660D+01 -0.161529D+01  0.895503D+00 -0.357613D+01
      3  -0.870132D+01  0.845094D+01  0.151956D+01  0.112839D+02 -0.132784D+02
                96            97            98            99           100 
      1  -0.212442D+01 -0.571275D-01  0.722469D+00  0.125014D+01  0.202104D+01
      2   0.281492D+01 -0.169493D+01  0.215636D+01 -0.822580D+00  0.133907D+01
      3  -0.357436D+00  0.108900D+01  0.556853D+00 -0.119020D+01 -0.216013D+02
               101           102           103           104           105 
      1  -0.432844D+00  0.244574D+01 -0.786899D-01  0.779763D+00 -0.114143D+01
      2  -0.458307D+00  0.681667D+00 -0.161882D-01  0.370812D+00 -0.119338D+01
      3  -0.162891D+01 -0.194864D+01  0.513092D+01 -0.181135D+00 -0.408604D+00
               106           107           108           109           110 
      1   0.117973D+00 -0.765796D-01  0.623814D+00 -0.746552D+00 -0.130294D+01
      2  -0.166229D+01 -0.136731D+01 -0.250502D+00 -0.139919D+00  0.410574D+00
      3  -0.399326D+01 -0.871062D-01  0.973719D+00  0.135831D+01  0.477878D+00
               111           112           113           114           115 
      1  -0.379419D+01 -0.731533D+00 -0.317976D+01 -0.550239D+01 -0.217859D+01
      2   0.938766D+00 -0.499419D+00  0.418410D+00  0.800624D+00 -0.157713D+01
      3   0.268891D+00  0.279920D+01 -0.533344D-01  0.567438D-01  0.279640D+01
               116           117           118           119           120 
      1  -0.406871D+01 -0.714510D+01  0.686732D-01  0.101619D+00 -0.207438D+00
      2   0.684641D+00  0.129815D+01 -0.380827D+01 -0.176544D+00  0.451249D+01
      3   0.673470D+00  0.167590D+01 -0.172570D+01 -0.168407D+01  0.604499D-02
               121           122           123           124           125 
      1  -0.626510D+00 -0.125003D+01 -0.196916D+01  0.171556D+00  0.394862D+01
      2   0.730760D-01 -0.328560D+01  0.882329D+01  0.352628D+01  0.725754D+01
      3  -0.225825D+00 -0.128470D+01  0.341084D+01  0.509694D+00  0.650044D+01
               126 
      1   0.200479D+01
      2  -0.240012D+02
      3  -0.748033D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.496398D+02  0.524688D+01  0.255458D+01  0.120053D+02  0.151209D+02
      2   0.242991D+02 -0.274971D+01 -0.230176D+01 -0.452050D+01 -0.154952D+02
      3   0.253407D+02 -0.249717D+01 -0.252820D+00 -0.748476D+01  0.374224D+00
      4   0.953711D+00 -0.100229D+02 -0.125902D+01  0.118545D+02 -0.225889D+01
      5  -0.528774D+00 -0.186796D+01 -0.578506D+01  0.170516D+01 -0.103640D+00
      6   0.282978D+01  0.708775D+00  0.167028D+00  0.273295D+00  0.353296D+00
                 6             7             8             9            10 
      1   0.381455D-01  0.106380D+02  0.326589D+00  0.110056D+02  0.105146D+03
      2  -0.255506D+01 -0.609245D+01 -0.128837D+01  0.195285D+01 -0.519235D+02
      3   0.251691D+01 -0.454551D+01  0.961778D+00 -0.129584D+02 -0.532223D+02
      4   0.797476D-01  0.521704D+01  0.285192D+01  0.247148D+01  0.491810D+00
      5   0.131742D+01  0.473870D+01  0.328163D+00 -0.330106D+01  0.502588D+01
      6   0.363292D+01  0.112113D+01  0.163258D+01 -0.982065D+00  0.889104D+00
                11            12            13            14            15 
      1  -0.872802D+01  0.159883D+01 -0.191939D+02  0.210634D+01 -0.346024D+01
      2   0.666111D+01 -0.200472D+01  0.157213D+02  0.157911D+02  0.164787D+01
      3   0.206691D+01  0.405890D+00  0.347260D+01 -0.178975D+02  0.181237D+01
      4   0.286860D+02  0.451043D+01  0.315707D+02  0.527723D+01  0.596282D+01
      5   0.382393D+01  0.158598D+02  0.254145D+00  0.622792D+01 -0.135057D+02
      6   0.694451D+00  0.741434D+00  0.234086D+01  0.292317D+01  0.101642D+02
                16            17            18            19            20 
      1  -0.205979D+00 -0.182126D+01  0.402297D+01 -0.356736D-01  0.206820D+01
      2  -0.439818D+01 -0.202524D+01 -0.107661D+02  0.253362D+01  0.102579D+01
      3   0.460416D+01  0.384651D+01  0.674308D+01 -0.249795D+01 -0.309399D+01
      4   0.295003D+01  0.870033D+01 -0.123527D+02  0.153248D+00  0.739013D+01
      5   0.251667D+02 -0.125195D+02  0.381926D+02  0.586098D+01 -0.407880D+00
      6  -0.866408D-02  0.130268D+02  0.100563D+02  0.497996D+00 -0.212040D+01
                21            22            23            24            25 
      1   0.196750D+01 -0.421929D+01  0.591171D+01 -0.534755D+01 -0.921895D+01
      2  -0.255954D+01  0.281610D+01 -0.540720D+01 -0.254487D+01  0.254361D+01
      3   0.592050D+00  0.140319D+01 -0.504505D+00  0.789242D+01  0.667535D+01
      4  -0.155824D+01 -0.718615D+01 -0.673228D+01  0.743951D+00 -0.546659D+01
      5   0.471212D+01 -0.175516D+00  0.627182D+00 -0.111910D+01  0.452783D+00
      6  -0.229072D+00  0.250478D+01  0.524508D+00 -0.932314D+01 -0.150762D+01
                26            27            28            29            30 
      1  -0.581989D+01  0.282315D+01  0.410336D+01 -0.257853D+01 -0.252598D+01
      2  -0.258841D+01  0.107816D+02 -0.445501D+01  0.434930D+01  0.256425D+01
      3   0.840831D+01 -0.136047D+02  0.351644D+00 -0.177078D+01 -0.382746D-01
      4  -0.417918D+01 -0.943445D-01  0.781705D+01 -0.385151D+01 -0.155547D+01
      5   0.124187D+01 -0.121245D+01 -0.141213D+01 -0.177286D+01  0.462306D+01
      6   0.165646D+01  0.414457D+01 -0.875066D+00 -0.251068D+00 -0.591282D+01
                31            32            33            34            35 
      1   0.207145D+01 -0.133017D+02  0.659397D+01  0.233455D+01  0.808091D+01
      2   0.341738D+00  0.226498D+02 -0.558908D+01  0.125798D+00 -0.725619D+01
      3  -0.241319D+01 -0.934806D+01 -0.100490D+01 -0.246035D+01 -0.824721D+00
      4   0.204267D+01  0.492261D+01 -0.317640D+01 -0.709860D+00 -0.234418D+01
      5  -0.168749D+01 -0.182288D+01 -0.890380D+00  0.207862D+01 -0.145628D+01
      6  -0.527099D+01 -0.966640D+01  0.737937D+00 -0.669627D+01 -0.748774D+01
                36            37            38            39            40 
      1   0.438873D+01 -0.490682D+01 -0.850147D+01 -0.167525D+01  0.769956D+01
      2  -0.778467D+01 -0.109791D+01  0.108104D+02 -0.377369D+01 -0.773242D+00
      3   0.339594D+01  0.600473D+01 -0.230889D+01  0.544895D+01 -0.692632D+01
      4  -0.419450D+01  0.499838D+01 -0.181039D+02  0.611347D+01 -0.269896D+02
      5  -0.313557D+01 -0.344265D+01  0.757918D+01 -0.964024D+01  0.145436D+02
      6  -0.118653D+02  0.108668D+01  0.354292D-01  0.340049D+01 -0.961799D+00
                41            42            43            44            45 
      1  -0.111189D+01  0.144373D+01  0.159848D+01  0.683573D+01 -0.344084D+01
      2  -0.124828D+02 -0.645943D+01 -0.275083D+01  0.423695D+00 -0.167088D+01
      3   0.135947D+02  0.501570D+01  0.115235D+01 -0.725943D+01  0.511171D+01
      4   0.273792D+02 -0.336063D+01  0.146267D+02  0.287041D+01  0.242201D+01
      5  -0.457022D+01  0.796852D+01 -0.273511D+01  0.162822D+01  0.588644D+01
      6   0.487076D+01 -0.804690D+01  0.140675D+01  0.303629D+01  0.524701D+01
                46            47            48            49            50 
      1   0.251678D+02 -0.100328D+02  0.382489D+01 -0.127762D+02 -0.104868D+02
      2  -0.827990D+01 -0.200747D+01 -0.257825D+01 -0.159909D+01  0.331290D+02
      3  -0.168879D+02  0.120403D+02 -0.124663D+01  0.143753D+02 -0.226422D+02
      4  -0.271516D+02  0.277270D+02 -0.598984D+01  0.342120D+02 -0.538925D+02
      5   0.103332D+02 -0.680059D+01  0.131334D+02 -0.767387D+01  0.101886D+02
      6  -0.276952D+01  0.217941D+01 -0.576625D+01  0.423579D+01 -0.594207D+01
                51            52            53            54            55 
      1   0.195255D+01  0.395551D+01  0.813408D+00 -0.892100D+00  0.402306D+02
      2  -0.508892D+00 -0.192508D+01 -0.113066D+01 -0.994294D+00 -0.240368D+02
      3  -0.144366D+01 -0.203043D+01  0.317250D+00  0.188639D+01 -0.161938D+02
      4   0.799999D+01 -0.682013D+01  0.570558D+01 -0.141746D+02  0.168807D+02
      5  -0.151537D+02  0.151611D+02 -0.141902D+02  0.108809D+02 -0.138236D+02
      6   0.137381D+02 -0.683530D+01  0.118568D+02 -0.616874D+01 -0.265606D+01
                56            57            58            59            60 
      1   0.494639D+01 -0.707396D+01 -0.602651D+01  0.111764D+02  0.294172D+01
      2  -0.472703D+00  0.899159D+01  0.691095D+01 -0.331257D+01 -0.371568D+00
      3  -0.447369D+01 -0.191763D+01 -0.884442D+00 -0.786385D+01 -0.257015D+01
      4   0.194765D+02 -0.525381D+01  0.196179D+02  0.600337D+01 -0.270525D+01
      5  -0.430124D+01  0.164715D+02 -0.135185D+01 -0.423988D+01  0.134891D+01
      6  -0.171812D+01  0.383905D+01 -0.913358D+00 -0.177139D+01  0.670093D+01
                61            62            63            64            65 
      1  -0.296969D+01 -0.225152D+01  0.215191D+01 -0.211350D+00 -0.523604D-01
      2   0.431453D+01  0.184064D+01 -0.111838D+02 -0.348707D+01 -0.875938D+00
      3  -0.134484D+01  0.410878D+00  0.903186D+01  0.369842D+01  0.928298D+00
      4  -0.688488D+01 -0.580424D+01  0.653903D+01  0.416637D+00  0.854123D+00
      5   0.160063D+02  0.578948D+01 -0.179503D+02 -0.115402D+01 -0.131934D+01
      6   0.230692D+01  0.517104D+01 -0.366677D+01 -0.150791D+01 -0.493248D+00
                66            67            68            69            70 
      1   0.825016D+00  0.456652D-03 -0.484919D+01  0.429271D+01  0.211091D+01
      2   0.107878D+01 -0.980017D+00  0.122469D+00  0.194712D+01  0.349915D+00
      3  -0.190380D+01  0.979560D+00  0.472672D+01 -0.623984D+01 -0.246083D+01
      4  -0.790764D+00  0.287738D+01  0.655153D+00  0.461929D-01 -0.723960D+00
      5   0.472231D+01 -0.143672D+01  0.229225D-01  0.172518D+00  0.427178D+01
      6   0.245419D+00 -0.956104D+00 -0.453527D+01  0.810779D+01  0.938262D+00
                71            72            73            74            75 
      1   0.346687D+01 -0.174982D+02  0.363547D+01 -0.538572D+00  0.212001D+01
      2   0.441895D+01 -0.136781D+02 -0.454437D+01  0.877629D-01  0.848343D+00
      3  -0.788582D+01  0.311763D+02  0.908903D+00  0.450809D+00 -0.296835D+01
      4   0.100701D+01 -0.330434D+00 -0.140367D+00  0.168844D+01  0.739303D+00
      5  -0.509455D+00  0.165031D+01 -0.117393D+01  0.468334D-01  0.536818D+01
      6   0.582255D+01 -0.699029D+01 -0.285040D+00 -0.534603D+00 -0.387964D+00
                76            77            78            79            80 
      1  -0.338518D+01 -0.436966D+01  0.263129D+01  0.575633D+01 -0.811711D-01
      2   0.140148D+01  0.190316D+01  0.144770D+01 -0.452009D+00  0.130533D+01
      3   0.198369D+01  0.246650D+01 -0.407899D+01 -0.530432D+01 -0.122416D+01
      4  -0.359236D+00 -0.459777D+00  0.120244D+01  0.158287D+01  0.883391D+00
      5   0.168413D+00  0.899578D+00 -0.153675D+01  0.226273D+01 -0.935799D-01
      6  -0.548179D+00 -0.692723D+00  0.404694D+01 -0.939211D+00  0.386340D+01
                81            82            83            84            85 
      1  -0.203577D+02  0.175881D+01  0.241375D+01  0.920782D-01  0.994012D+01
      2  -0.903176D+01  0.164603D+01 -0.297220D+01  0.284984D+00 -0.893179D+01
      3   0.293895D+02 -0.340484D+01  0.558448D+00 -0.377063D+00 -0.100833D+01
      4  -0.156603D+01 -0.110213D+01  0.623794D+01  0.620616D+00  0.224213D+01
      5   0.721702D+01 -0.367037D+00  0.114873D+01  0.226429D+01  0.502149D+00
      6   0.427531D+01  0.767197D-01 -0.703984D+00 -0.480354D+00 -0.121580D+01
                86            87            88            89            90 
      1  -0.221159D+02 -0.289481D+01 -0.210998D+01  0.501079D+00 -0.447584D+01
      2   0.297522D+02  0.217232D+01  0.186293D+01 -0.101654D+01  0.222730D+01
      3  -0.763631D+01  0.722495D+00  0.247044D+00  0.515463D+00  0.224854D+01
      4   0.470893D+01  0.209866D+00  0.261531D+00 -0.681003D+00  0.598324D-01
      5  -0.958903D-01  0.187406D+00  0.805166D+00  0.464936D+00  0.219409D+00
      6   0.501488D+01  0.425774D+01 -0.165757D+01  0.469110D+01  0.780118D+00
                91            92            93            94            95 
      1  -0.127045D+02  0.537426D+01  0.191684D+01  0.132690D+02 -0.908306D+01
      2   0.989572D+01 -0.200906D+01 -0.327293D+01 -0.764079D+01  0.992431D+01
      3   0.280879D+01 -0.336521D+01  0.135609D+01 -0.562817D+01 -0.841251D+00
      4   0.173325D+01 -0.260345D+01  0.117313D+01  0.373429D+01  0.144467D+02
      5   0.377025D+01 -0.371005D-01 -0.392471D+01 -0.465149D+01 -0.288781D+01
      6   0.185905D+01 -0.281538D+00  0.532315D+00 -0.279980D+01 -0.470631D+01
                96            97            98            99           100 
      1  -0.702103D+00  0.146738D+01  0.289000D+01 -0.319874D+01  0.429618D+01
      2   0.649464D+00 -0.105906D+01 -0.228310D+01  0.117420D+01  0.194794D+01
      3   0.526394D-01 -0.408324D+00 -0.606899D+00  0.202455D+01 -0.624412D+01
      4  -0.496395D+01 -0.258719D+00 -0.235794D+01  0.238449D+01 -0.122297D+02
      5   0.584790D+01  0.167831D+01  0.246343D+01 -0.219747D+01 -0.175751D+01
      6   0.380547D+01  0.328496D+00  0.391675D+01 -0.404781D+01 -0.716938D+00
               101           102           103           104           105 
      1   0.875981D+01  0.228071D+01  0.844977D+00 -0.397590D+01 -0.491663D+00
      2  -0.127419D+02 -0.795239D+00 -0.439336D+01  0.745024D+01  0.171272D-01
      3   0.398206D+01 -0.148547D+01  0.354838D+01 -0.347434D+01  0.474536D+00
      4   0.823205D+01 -0.111427D+01  0.785426D+01 -0.822434D+01 -0.469731D+00
      5   0.476037D+00 -0.491705D+00  0.112933D+01 -0.678815D+00 -0.172924D+01
      6  -0.224272D+01 -0.386257D+01 -0.141182D+01  0.106524D+01  0.252447D+01
               106           107           108           109           110 
      1  -0.336475D+00  0.572796D+00 -0.163840D+01 -0.140909D+01 -0.281182D+01
      2   0.140342D+00 -0.101164D+01  0.704673D+00  0.156809D+01  0.292510D+01
      3   0.196133D+00  0.438841D+00  0.933722D+00 -0.158999D+00 -0.113280D+00
      4  -0.209117D+01 -0.472903D+00 -0.146946D+01  0.314875D+01  0.538632D+01
      5   0.163373D+01 -0.140534D+01 -0.683511D+00  0.230210D+01  0.304987D+01
      6   0.856638D-01  0.344633D+01 -0.433664D+00  0.391481D+01  0.488999D+01
               111           112           113           114           115 
      1  -0.212322D+01 -0.229719D+01 -0.131117D+02 -0.834769D+01 -0.358091D+01
      2   0.950412D+00  0.265898D+01  0.146871D+02  0.810571D+01  0.171762D+01
      3   0.117280D+01 -0.361784D+00 -0.157540D+01  0.241980D+00  0.186329D+01
      4   0.423216D+01  0.459614D+01  0.354969D+01  0.259793D+01  0.405453D+01
      5   0.424499D+01  0.135745D+01  0.216746D+01  0.161874D+01  0.398124D+01
      6   0.709811D+01  0.329636D+01  0.150973D+02  0.146822D+02  0.633639D+01
               116           117           118           119           120 
      1  -0.127679D+02 -0.133413D+02  0.617770D+01  0.320495D+01 -0.697277D+01
      2   0.100691D+02  0.641716D+01 -0.487019D+01 -0.141581D+01  0.416315D+01
      3   0.269883D+01  0.692414D+01 -0.130750D+01 -0.178914D+01  0.280962D+01
      4   0.427665D+01  0.493795D+01  0.310830D+01  0.409631D+01 -0.207584D+01
      5   0.308251D+01  0.425424D+01 -0.602583D+01 -0.182575D+01  0.122344D+02
      6   0.186842D+02  0.190863D+02 -0.234361D+01 -0.162367D+00  0.615190D+00
               121           122           123           124           125 
      1   0.268218D+01 -0.203835D+01  0.282206D+01 -0.784378D+01  0.726461D+00
      2  -0.224112D+01  0.154592D+01 -0.902636D+00  0.721824D+01  0.201457D+01
      3  -0.441060D+00  0.492430D+00 -0.191942D+01  0.625546D+00 -0.274103D+01
      4   0.513940D+01  0.370285D+01 -0.656002D+01 -0.573743D+01 -0.104558D+02
      5  -0.268330D+01 -0.573448D+01  0.154734D+02  0.157044D+02  0.142537D+02
      6  -0.966282D+00 -0.474314D+01  0.876377D+01  0.419901D+01  0.587659D+01
               126 
      1  -0.207745D+01
      2  -0.106765D+02
      3   0.127539D+02
      4   0.153673D+02
      5  -0.422136D+02
      6  -0.116431D+02
 Leave Link  716 at Thu Aug 12 22:16:12 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.912064D+02 -0.922016D+00 -0.239305D+01
      2  -0.922016D+00  0.751931D+02 -0.220816D+01
      3  -0.239305D+01 -0.220816D+01  0.637924D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.379261D+01  0.131008D+01 -0.122646D+01
      2   0.391628D+00 -0.842152D+01 -0.291285D+02
      3   0.827779D+01  0.152689D+02  0.656508D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.974055D+02 -0.180853D+02 -0.154222D+02
      2   0.556709D+02  0.136211D+02  0.452738D+01
      3   0.417345D+02  0.446426D+01  0.108948D+02
      4  -0.215957D+02 -0.130777D+02 -0.178081D+02
      5  -0.586762D+01 -0.186667D+02 -0.459897D+02
      6  -0.456079D+01  0.124869D+02  0.202890D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103299D+02 -0.218267D+01 -0.134256D+01 -0.532033D+01 -0.230114D+01
      2  -0.218267D+01  0.156427D+00  0.205710D+00 -0.230114D+01  0.380753D+01
      3  -0.134256D+01  0.205710D+00 -0.553299D+00 -0.579382D+00 -0.718880D-01
                 6             7             8             9            10 
      1  -0.579382D+00 -0.435241D+01 -0.296083D+00 -0.153938D+01 -0.178998D+02
      2  -0.718880D-01 -0.296083D+00 -0.123140D+01 -0.104431D+01  0.174207D+01
      3  -0.168335D+01 -0.153938D+01 -0.104431D+01  0.477064D+01 -0.300292D+00
                11            12            13            14            15 
      1   0.174207D+01 -0.300292D+00  0.412134D+01 -0.333292D+01  0.174106D-01
      2  -0.277156D+01 -0.515565D+00 -0.333292D+01  0.129361D+00 -0.862394D+00
      3  -0.515565D+00 -0.106465D+01  0.174106D-01 -0.862394D+00  0.290736D+01
                16            17            18            19            20 
      1  -0.998413D+00 -0.263453D+00 -0.241146D+01 -0.143178D+01  0.142052D+01
      2  -0.263453D+00 -0.160469D+01  0.248290D+01  0.142052D+01  0.770265D+00
      3  -0.241146D+01  0.248290D+01 -0.696945D+01  0.128896D+01 -0.229879D+00
                21            22            23            24            25 
      1   0.128896D+01  0.490688D+01  0.603703D+00  0.446666D+00  0.493080D+01
      2  -0.229879D+00  0.603703D+00 -0.205121D+01 -0.624363D+00 -0.130672D+00
      3   0.944699D+00  0.446666D+00 -0.624363D+00  0.209006D+01  0.154075D+01
                26            27            28            29            30 
      1  -0.130672D+00  0.154075D+01  0.507840D+01  0.289264D+00 -0.289893D+00
      2  -0.206393D+00  0.305261D+01  0.289264D+00  0.960687D+00  0.171915D+00
      3   0.305261D+01 -0.494266D+01 -0.289893D+00  0.171915D+00 -0.143637D+01
                31            32            33            34            35 
      1  -0.150659D+01  0.355206D-01 -0.724952D+00 -0.460254D+00 -0.754466D+00
      2   0.355206D-01  0.289636D+01 -0.126709D+01 -0.754466D+00 -0.277745D+01
      3  -0.724952D+00 -0.126709D+01 -0.172355D+01 -0.153781D+01 -0.207308D+01
                36            37            38            39            40 
      1  -0.153781D+01  0.243194D+01 -0.750950D-01 -0.872620D+00  0.141376D+01
      2  -0.207308D+01 -0.750950D-01 -0.138102D+01  0.146616D+01 -0.319249D+01
      3  -0.199685D+01 -0.872620D+00  0.146616D+01  0.111255D+00  0.142694D+01
                41            42            43            44            45 
      1  -0.319249D+01  0.142694D+01 -0.850309D+00  0.187676D+01 -0.467588D+00
      2   0.473996D+01 -0.820559D+00  0.187676D+01 -0.114784D+01 -0.465641D+00
      3  -0.820559D+00  0.149252D+00 -0.467588D+00 -0.465641D+00  0.490257D+00
                46            47            48            49            50 
      1   0.464261D+01 -0.405614D+01  0.143124D+01 -0.587469D+01  0.424091D+01
      2  -0.405614D+01  0.299932D+01 -0.104706D+01  0.424091D+01 -0.108624D+02
      3   0.143124D+01 -0.104706D+01  0.915057D+00 -0.716714D+00  0.178206D+01
                51            52            53            54            55 
      1  -0.716714D+00  0.161206D+01 -0.868662D+00  0.204308D+01  0.625363D+01
      2   0.178206D+01 -0.868662D+00  0.133922D+01 -0.282395D+01  0.110642D+01
      3  -0.236948D+01  0.204308D+01 -0.282395D+01  0.219758D+01 -0.239560D+01
                56            57            58            59            60 
      1   0.110642D+01 -0.239560D+01 -0.147713D+01  0.368127D+01  0.397995D+00
      2   0.257425D+01 -0.536979D+00  0.368127D+01 -0.497197D+00 -0.668213D+00
      3  -0.536979D+00  0.144151D+01  0.397995D+00 -0.668213D+00  0.148548D-01
                61            62            63            64            65 
      1  -0.238903D+01 -0.931621D+00  0.181301D+01 -0.501387D+00 -0.711823D+00
      2  -0.931621D+00 -0.114567D+00  0.119823D+01 -0.711823D+00 -0.388693D+00
      3   0.181301D+01  0.119823D+01 -0.277152D+01  0.882849D+00  0.771024D-01
                66            67            68            69            70 
      1   0.882849D+00 -0.134600D+01 -0.358253D+00  0.128074D-02  0.957168D+00
      2   0.771024D-01 -0.358253D+00 -0.109080D+01  0.146045D+01  0.972443D-01
      3  -0.860116D+00  0.128074D-02  0.146045D+01 -0.170872D+01 -0.244893D+00
                71            72            73            74            75 
      1   0.972443D-01 -0.244893D+00 -0.404990D+00  0.403078D+00 -0.708614D+00
      2   0.212320D+01 -0.187173D+01  0.403078D+00  0.111111D+00  0.167246D-01
      3  -0.187173D+01  0.696140D+01 -0.708614D+00  0.167246D-01  0.838295D+00
                76            77            78            79            80 
      1   0.156240D+01  0.483800D+00 -0.132139D+00 -0.183243D+01 -0.127020D+00
      2   0.483800D+00  0.920006D-01 -0.889153D+00 -0.127020D+00 -0.984689D+00
      3  -0.132139D+00 -0.889153D+00  0.142669D+01  0.108760D+01  0.196890D-01
                81            82            83            84            85 
      1   0.108760D+01  0.229910D+00 -0.700087D+00  0.159371D+00 -0.253748D+01
      2   0.196890D-01 -0.700087D+00  0.440613D+00  0.915869D-01  0.160643D+01
      3  -0.733449D+01  0.159371D+00  0.915869D-01  0.195714D+00  0.224197D+00
                86            87            88            89            90 
      1   0.160643D+01  0.224197D+00  0.119376D+01 -0.681081D-01  0.370500D+00
      2  -0.681769D+01 -0.707064D+00 -0.681081D-01  0.388701D+00 -0.753413D+00
      3  -0.707064D+00 -0.797375D+00  0.370500D+00 -0.753413D+00 -0.377220D+00
                91            92            93            94            95 
      1  -0.219660D+01  0.164879D+01  0.962351D+00  0.392194D+01 -0.473762D+00
      2   0.164879D+01 -0.102855D+01 -0.865762D-01 -0.473762D+00  0.415388D+01
      3   0.962351D+00 -0.865762D-01 -0.308095D+00 -0.117260D+01 -0.885756D+00
                96            97            98            99           100 
      1  -0.117260D+01  0.465154D-01 -0.228145D+00  0.308531D+00 -0.640917D+01
      2  -0.885756D+00 -0.228145D+00 -0.972966D+00  0.858506D+00  0.710644D+00
      3   0.150774D+01  0.308531D+00  0.858506D+00 -0.143046D+01 -0.643750D+00
               101           102           103           104           105 
      1   0.710644D+00 -0.643750D+00  0.226824D+01 -0.117670D+01 -0.125008D+00
      2  -0.334874D+01 -0.293881D+00 -0.117670D+01  0.242912D+01  0.181242D+00
      3  -0.293881D+00 -0.675202D+00 -0.125008D+00  0.181242D+00  0.719739D+00
               106           107           108           109           110 
      1  -0.136198D+01 -0.772998D-01  0.283417D-01  0.948436D+00  0.891087D+00
      2  -0.772998D-01 -0.277737D+00  0.725513D+00  0.891087D+00  0.123005D+01
      3   0.283417D-01  0.725513D+00 -0.135390D+00  0.693374D+00  0.602307D+00
               111           112           113           114           115 
      1   0.693374D+00  0.847930D+00  0.814961D+00  0.497989D+00  0.117628D+01
      2   0.602307D+00  0.814961D+00  0.377910D+01  0.217986D+01  0.105319D+01
      3   0.163365D+01  0.497989D+00  0.217986D+01  0.248314D+01  0.133622D+01
               116           117           118           119           120 
      1   0.105319D+01  0.133622D+01 -0.107106D+01 -0.486049D+00  0.113519D+01
      2   0.348914D+01  0.326629D+01 -0.486049D+00 -0.324154D+00  0.784371D-01
      3   0.326629D+01  0.363436D+01  0.113519D+01  0.784371D-01 -0.118245D+01
               121           122           123           124           125 
      1  -0.980257D+00 -0.631336D+00  0.438321D+00  0.232825D+01  0.718329D+00
      2  -0.631336D+00 -0.707995D+00  0.119288D+01  0.718329D+00  0.197749D+01
      3   0.438321D+00  0.119288D+01 -0.301634D+01 -0.232690D+01 -0.257162D+01
               126 
      1  -0.232690D+01
      2  -0.257162D+01
      3   0.790379D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.303973D+00 -0.384104D-01  0.621892D+00  0.663511D+00 -0.406871D+01
      2   0.480676D+01 -0.178483D+01  0.230024D+00  0.196703D+00 -0.600923D+00
      3  -0.557604D+01  0.538814D+01  0.243362D+01  0.114632D+02  0.463437D+01
                 6             7             8             9            10 
      1  -0.416274D+01 -0.154125D+01  0.161909D+01  0.468835D+01 -0.780005D+00
      2   0.782381D+00 -0.995661D+01  0.106295D+01 -0.313270D+01 -0.478176D+01
      3   0.180257D-01  0.995703D+00 -0.114408D+01  0.169990D+00  0.121651D+02
                11            12            13            14            15 
      1   0.115096D+01 -0.138030D+01  0.303626D+01 -0.177795D+00 -0.815374D+01
      2   0.147914D+01  0.808772D+01 -0.106918D+01  0.123366D+01 -0.741192D+01
      3  -0.132696D+02 -0.167933D+01  0.769878D+01  0.195253D+01 -0.254738D+01
                16            17            18            19            20 
      1  -0.502710D+00  0.708579D+01 -0.166352D+01 -0.350629D-01  0.237621D+00
      2  -0.937761D+01 -0.784247D+01  0.203594D+02  0.106193D+02  0.534886D+00
      3   0.426935D+00 -0.546442D+01  0.808387D+01 -0.514057D+01 -0.807858D+01
                21            22            23            24            25 
      1  -0.123196D+00 -0.339248D+01 -0.158515D+01  0.159430D+01  0.844754D-01
      2   0.474438D+01  0.622091D-01 -0.573955D+00 -0.852828D+00 -0.458589D+01
      3  -0.137798D+01 -0.305450D+00  0.136278D+01  0.267328D+01 -0.169019D+01
                26            27            28            29            30 
      1   0.321331D+01  0.639585D+00 -0.301222D+00  0.585788D+00  0.233556D+01
      2   0.163652D+01 -0.326566D+01 -0.165211D+01 -0.395339D+00  0.262017D+01
      3   0.138494D+01 -0.882455D+00  0.178310D+02 -0.424496D+01  0.111769D+01
                31            32            33            34            35 
      1   0.200755D+01  0.643061D+01 -0.202864D+01  0.307301D+01  0.827342D+01
      2  -0.458061D+00 -0.407849D+00  0.268001D+00 -0.372710D+01  0.226840D-01
      3   0.709795D+00 -0.207250D+01 -0.129190D+01  0.115780D+01 -0.158378D+00
                36            37            38            39            40 
      1   0.512480D+01  0.152999D+01  0.169887D+01 -0.297629D+01  0.180923D+01
      2  -0.586370D+00 -0.120987D+02  0.178452D+00 -0.408426D+01 -0.364387D+01
      3  -0.345422D+01  0.887468D+01  0.293824D+01 -0.514527D+00  0.717805D+01
                41            42            43            44            45 
      1   0.638898D+01  0.471990D+01 -0.213948D+00  0.593914D+01 -0.661830D+01
      2  -0.745802D+00  0.434267D+01 -0.151545D+02  0.161210D+01  0.659089D+01
      3  -0.135062D+02 -0.156024D+01  0.154213D+01 -0.295266D+01 -0.696305D+00
                46            47            48            49            50 
      1  -0.311794D+00  0.857219D+00  0.409521D+01  0.677629D+00 -0.288312D+01
      2   0.255762D+01 -0.830094D+00  0.653040D+01  0.428452D+01  0.247928D+01
      3   0.176171D+00 -0.838604D+01  0.143892D+01  0.376212D+01  0.213067D+02
                51            52            53            54            55 
      1  -0.912426D+01  0.566254D-01  0.188192D+01  0.250816D+01  0.227351D+01
      2  -0.708393D+01  0.320239D+01 -0.551692D+01  0.291518D+01  0.226055D+01
      3  -0.234848D+01  0.359365D-01 -0.146533D+01  0.538561D+01  0.545879D+01
                56            57            58            59            60 
      1  -0.487335D+01 -0.222812D+01 -0.493178D+01  0.230450D+01 -0.205237D+01
      2  -0.281228D+01  0.732692D+01 -0.822905D+00  0.904196D+00  0.228536D+00
      3  -0.147319D+02 -0.998426D-01 -0.119653D+02  0.564003D+01  0.321967D+01
                61            62            63            64            65 
      1  -0.947685D+00  0.309859D+01  0.191276D+01 -0.231662D+00 -0.664277D+00
      2   0.440803D+01  0.165449D+01 -0.806635D+01  0.761653D+00  0.211946D+00
      3  -0.141829D+01  0.247929D+01 -0.192230D+01 -0.169036D-01  0.170035D+00
                66            67            68            69            70 
      1  -0.109454D+00  0.401886D+00 -0.108652D+01 -0.540280D+00 -0.126701D+00
      2   0.963095D-01  0.960379D+00  0.994559D+00 -0.511353D+00 -0.312912D+01
      3   0.354389D+00  0.246287D+01  0.328836D+00 -0.881634D+00 -0.981563D+00
                71            72            73            74            75 
      1   0.344134D+01  0.753059D+00 -0.116226D+01 -0.704437D+00  0.409144D+00
      2  -0.798560D+00  0.282949D+01  0.171439D+01  0.377770D+00  0.403359D+00
      3  -0.421953D+00  0.704069D+00  0.355718D+00 -0.169678D+01  0.226155D+00
                76            77            78            79            80 
      1  -0.757885D+00 -0.733624D+00  0.772008D+00  0.817368D+00  0.274699D+01
      2   0.154757D+01  0.119562D+01 -0.131328D+01 -0.515672D+01 -0.338099D+00
      3   0.304705D+00 -0.188614D-01 -0.686581D+00  0.104002D+01 -0.246794D+00
                81            82            83            84            85 
      1  -0.513714D+01  0.108979D+01 -0.647048D+00  0.676886D+00 -0.172346D+01
      2   0.687784D+01  0.747034D-01 -0.956184D-01  0.141865D+01 -0.151033D+01
      3  -0.538052D+00 -0.299712D+01 -0.130153D+01 -0.641692D+00  0.530352D+01
                86            87            88            89            90 
      1   0.407739D+01 -0.217808D+01  0.786171D+00 -0.228241D+00 -0.446434D-01
      2   0.159372D+01  0.306278D+00 -0.715201D+00  0.236626D+00  0.453701D+00
      3  -0.529065D+01 -0.495639D+00 -0.151031D+01  0.345727D+00 -0.829298D+00
                91            92            93            94            95 
      1  -0.371842D+01  0.403123D+01  0.234561D+00  0.483952D+01 -0.391289D+01
      2  -0.284652D+01  0.225660D+01 -0.161529D+01  0.895503D+00 -0.357613D+01
      3  -0.870132D+01  0.845094D+01  0.151956D+01  0.112839D+02 -0.132784D+02
                96            97            98            99           100 
      1  -0.212442D+01 -0.571275D-01  0.722469D+00  0.125014D+01  0.202104D+01
      2   0.281492D+01 -0.169493D+01  0.215636D+01 -0.822580D+00  0.133907D+01
      3  -0.357436D+00  0.108900D+01  0.556853D+00 -0.119020D+01 -0.216013D+02
               101           102           103           104           105 
      1  -0.432844D+00  0.244574D+01 -0.786899D-01  0.779763D+00 -0.114143D+01
      2  -0.458307D+00  0.681667D+00 -0.161882D-01  0.370812D+00 -0.119338D+01
      3  -0.162891D+01 -0.194864D+01  0.513092D+01 -0.181135D+00 -0.408604D+00
               106           107           108           109           110 
      1   0.117973D+00 -0.765796D-01  0.623814D+00 -0.746552D+00 -0.130294D+01
      2  -0.166229D+01 -0.136731D+01 -0.250502D+00 -0.139919D+00  0.410574D+00
      3  -0.399326D+01 -0.871062D-01  0.973719D+00  0.135831D+01  0.477878D+00
               111           112           113           114           115 
      1  -0.379419D+01 -0.731533D+00 -0.317976D+01 -0.550239D+01 -0.217859D+01
      2   0.938766D+00 -0.499419D+00  0.418410D+00  0.800624D+00 -0.157713D+01
      3   0.268891D+00  0.279920D+01 -0.533344D-01  0.567438D-01  0.279640D+01
               116           117           118           119           120 
      1  -0.406871D+01 -0.714510D+01  0.686732D-01  0.101619D+00 -0.207438D+00
      2   0.684641D+00  0.129815D+01 -0.380827D+01 -0.176544D+00  0.451249D+01
      3   0.673470D+00  0.167590D+01 -0.172570D+01 -0.168407D+01  0.604499D-02
               121           122           123           124           125 
      1  -0.626510D+00 -0.125003D+01 -0.196916D+01  0.171556D+00  0.394862D+01
      2   0.730760D-01 -0.328560D+01  0.882329D+01  0.352628D+01  0.725754D+01
      3  -0.225825D+00 -0.128470D+01  0.341084D+01  0.509694D+00  0.650044D+01
               126 
      1   0.200479D+01
      2  -0.240012D+02
      3  -0.748033D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.496398D+02  0.524688D+01  0.255458D+01  0.120053D+02  0.151209D+02
      2   0.242991D+02 -0.274971D+01 -0.230176D+01 -0.452050D+01 -0.154952D+02
      3   0.253407D+02 -0.249717D+01 -0.252820D+00 -0.748476D+01  0.374224D+00
      4   0.953711D+00 -0.100229D+02 -0.125902D+01  0.118545D+02 -0.225889D+01
      5  -0.528774D+00 -0.186796D+01 -0.578506D+01  0.170516D+01 -0.103640D+00
      6   0.282978D+01  0.708775D+00  0.167028D+00  0.273295D+00  0.353296D+00
                 6             7             8             9            10 
      1   0.381455D-01  0.106380D+02  0.326589D+00  0.110056D+02  0.105146D+03
      2  -0.255506D+01 -0.609245D+01 -0.128837D+01  0.195285D+01 -0.519235D+02
      3   0.251691D+01 -0.454551D+01  0.961778D+00 -0.129584D+02 -0.532223D+02
      4   0.797476D-01  0.521704D+01  0.285192D+01  0.247148D+01  0.491810D+00
      5   0.131742D+01  0.473870D+01  0.328163D+00 -0.330106D+01  0.502588D+01
      6   0.363292D+01  0.112113D+01  0.163258D+01 -0.982065D+00  0.889104D+00
                11            12            13            14            15 
      1  -0.872802D+01  0.159883D+01 -0.191939D+02  0.210634D+01 -0.346024D+01
      2   0.666111D+01 -0.200472D+01  0.157213D+02  0.157911D+02  0.164787D+01
      3   0.206691D+01  0.405890D+00  0.347260D+01 -0.178975D+02  0.181237D+01
      4   0.286860D+02  0.451043D+01  0.315707D+02  0.527723D+01  0.596282D+01
      5   0.382393D+01  0.158598D+02  0.254145D+00  0.622792D+01 -0.135057D+02
      6   0.694451D+00  0.741434D+00  0.234086D+01  0.292317D+01  0.101642D+02
                16            17            18            19            20 
      1  -0.205979D+00 -0.182126D+01  0.402297D+01 -0.356736D-01  0.206820D+01
      2  -0.439818D+01 -0.202524D+01 -0.107661D+02  0.253362D+01  0.102579D+01
      3   0.460416D+01  0.384651D+01  0.674308D+01 -0.249795D+01 -0.309399D+01
      4   0.295003D+01  0.870033D+01 -0.123527D+02  0.153248D+00  0.739013D+01
      5   0.251667D+02 -0.125195D+02  0.381926D+02  0.586098D+01 -0.407880D+00
      6  -0.866408D-02  0.130268D+02  0.100563D+02  0.497996D+00 -0.212040D+01
                21            22            23            24            25 
      1   0.196750D+01 -0.421929D+01  0.591171D+01 -0.534755D+01 -0.921895D+01
      2  -0.255954D+01  0.281610D+01 -0.540720D+01 -0.254487D+01  0.254361D+01
      3   0.592050D+00  0.140319D+01 -0.504505D+00  0.789242D+01  0.667535D+01
      4  -0.155824D+01 -0.718615D+01 -0.673228D+01  0.743951D+00 -0.546659D+01
      5   0.471212D+01 -0.175516D+00  0.627182D+00 -0.111910D+01  0.452783D+00
      6  -0.229072D+00  0.250478D+01  0.524508D+00 -0.932314D+01 -0.150762D+01
                26            27            28            29            30 
      1  -0.581989D+01  0.282315D+01  0.410336D+01 -0.257853D+01 -0.252598D+01
      2  -0.258841D+01  0.107816D+02 -0.445501D+01  0.434930D+01  0.256425D+01
      3   0.840831D+01 -0.136047D+02  0.351644D+00 -0.177078D+01 -0.382746D-01
      4  -0.417918D+01 -0.943445D-01  0.781705D+01 -0.385151D+01 -0.155547D+01
      5   0.124187D+01 -0.121245D+01 -0.141213D+01 -0.177286D+01  0.462306D+01
      6   0.165646D+01  0.414457D+01 -0.875066D+00 -0.251068D+00 -0.591282D+01
                31            32            33            34            35 
      1   0.207145D+01 -0.133017D+02  0.659397D+01  0.233455D+01  0.808091D+01
      2   0.341738D+00  0.226498D+02 -0.558908D+01  0.125798D+00 -0.725619D+01
      3  -0.241319D+01 -0.934806D+01 -0.100490D+01 -0.246035D+01 -0.824721D+00
      4   0.204267D+01  0.492261D+01 -0.317640D+01 -0.709860D+00 -0.234418D+01
      5  -0.168749D+01 -0.182288D+01 -0.890380D+00  0.207862D+01 -0.145628D+01
      6  -0.527099D+01 -0.966640D+01  0.737937D+00 -0.669627D+01 -0.748774D+01
                36            37            38            39            40 
      1   0.438873D+01 -0.490682D+01 -0.850147D+01 -0.167525D+01  0.769956D+01
      2  -0.778467D+01 -0.109791D+01  0.108104D+02 -0.377369D+01 -0.773242D+00
      3   0.339594D+01  0.600473D+01 -0.230889D+01  0.544895D+01 -0.692632D+01
      4  -0.419450D+01  0.499838D+01 -0.181039D+02  0.611347D+01 -0.269896D+02
      5  -0.313557D+01 -0.344265D+01  0.757918D+01 -0.964024D+01  0.145436D+02
      6  -0.118653D+02  0.108668D+01  0.354292D-01  0.340049D+01 -0.961799D+00
                41            42            43            44            45 
      1  -0.111189D+01  0.144373D+01  0.159848D+01  0.683573D+01 -0.344084D+01
      2  -0.124828D+02 -0.645943D+01 -0.275083D+01  0.423695D+00 -0.167088D+01
      3   0.135947D+02  0.501570D+01  0.115235D+01 -0.725943D+01  0.511171D+01
      4   0.273792D+02 -0.336063D+01  0.146267D+02  0.287041D+01  0.242201D+01
      5  -0.457022D+01  0.796852D+01 -0.273511D+01  0.162822D+01  0.588644D+01
      6   0.487076D+01 -0.804690D+01  0.140675D+01  0.303629D+01  0.524701D+01
                46            47            48            49            50 
      1   0.251678D+02 -0.100328D+02  0.382489D+01 -0.127762D+02 -0.104868D+02
      2  -0.827990D+01 -0.200747D+01 -0.257825D+01 -0.159909D+01  0.331290D+02
      3  -0.168879D+02  0.120403D+02 -0.124663D+01  0.143753D+02 -0.226422D+02
      4  -0.271516D+02  0.277270D+02 -0.598984D+01  0.342120D+02 -0.538925D+02
      5   0.103332D+02 -0.680059D+01  0.131334D+02 -0.767387D+01  0.101886D+02
      6  -0.276952D+01  0.217941D+01 -0.576625D+01  0.423579D+01 -0.594207D+01
                51            52            53            54            55 
      1   0.195255D+01  0.395551D+01  0.813408D+00 -0.892100D+00  0.402306D+02
      2  -0.508892D+00 -0.192508D+01 -0.113066D+01 -0.994294D+00 -0.240368D+02
      3  -0.144366D+01 -0.203043D+01  0.317250D+00  0.188639D+01 -0.161938D+02
      4   0.799999D+01 -0.682013D+01  0.570558D+01 -0.141746D+02  0.168807D+02
      5  -0.151537D+02  0.151611D+02 -0.141902D+02  0.108809D+02 -0.138236D+02
      6   0.137381D+02 -0.683530D+01  0.118568D+02 -0.616874D+01 -0.265606D+01
                56            57            58            59            60 
      1   0.494639D+01 -0.707396D+01 -0.602651D+01  0.111764D+02  0.294172D+01
      2  -0.472703D+00  0.899159D+01  0.691095D+01 -0.331257D+01 -0.371568D+00
      3  -0.447369D+01 -0.191763D+01 -0.884442D+00 -0.786385D+01 -0.257015D+01
      4   0.194765D+02 -0.525381D+01  0.196179D+02  0.600337D+01 -0.270525D+01
      5  -0.430124D+01  0.164715D+02 -0.135185D+01 -0.423988D+01  0.134891D+01
      6  -0.171812D+01  0.383905D+01 -0.913358D+00 -0.177139D+01  0.670093D+01
                61            62            63            64            65 
      1  -0.296969D+01 -0.225152D+01  0.215191D+01 -0.211350D+00 -0.523604D-01
      2   0.431453D+01  0.184064D+01 -0.111838D+02 -0.348707D+01 -0.875938D+00
      3  -0.134484D+01  0.410878D+00  0.903186D+01  0.369842D+01  0.928298D+00
      4  -0.688488D+01 -0.580424D+01  0.653903D+01  0.416637D+00  0.854123D+00
      5   0.160063D+02  0.578948D+01 -0.179503D+02 -0.115402D+01 -0.131934D+01
      6   0.230692D+01  0.517104D+01 -0.366677D+01 -0.150791D+01 -0.493248D+00
                66            67            68            69            70 
      1   0.825016D+00  0.456652D-03 -0.484919D+01  0.429271D+01  0.211091D+01
      2   0.107878D+01 -0.980017D+00  0.122469D+00  0.194712D+01  0.349915D+00
      3  -0.190380D+01  0.979560D+00  0.472672D+01 -0.623984D+01 -0.246083D+01
      4  -0.790764D+00  0.287738D+01  0.655153D+00  0.461929D-01 -0.723960D+00
      5   0.472231D+01 -0.143672D+01  0.229225D-01  0.172518D+00  0.427178D+01
      6   0.245419D+00 -0.956104D+00 -0.453527D+01  0.810779D+01  0.938262D+00
                71            72            73            74            75 
      1   0.346687D+01 -0.174982D+02  0.363547D+01 -0.538572D+00  0.212001D+01
      2   0.441895D+01 -0.136781D+02 -0.454437D+01  0.877629D-01  0.848343D+00
      3  -0.788582D+01  0.311763D+02  0.908903D+00  0.450809D+00 -0.296835D+01
      4   0.100701D+01 -0.330434D+00 -0.140367D+00  0.168844D+01  0.739303D+00
      5  -0.509455D+00  0.165031D+01 -0.117393D+01  0.468334D-01  0.536818D+01
      6   0.582255D+01 -0.699029D+01 -0.285040D+00 -0.534603D+00 -0.387964D+00
                76            77            78            79            80 
      1  -0.338518D+01 -0.436966D+01  0.263129D+01  0.575633D+01 -0.811711D-01
      2   0.140148D+01  0.190316D+01  0.144770D+01 -0.452009D+00  0.130533D+01
      3   0.198369D+01  0.246650D+01 -0.407899D+01 -0.530432D+01 -0.122416D+01
      4  -0.359236D+00 -0.459777D+00  0.120244D+01  0.158287D+01  0.883391D+00
      5   0.168413D+00  0.899578D+00 -0.153675D+01  0.226273D+01 -0.935799D-01
      6  -0.548179D+00 -0.692723D+00  0.404694D+01 -0.939211D+00  0.386340D+01
                81            82            83            84            85 
      1  -0.203577D+02  0.175881D+01  0.241375D+01  0.920782D-01  0.994012D+01
      2  -0.903176D+01  0.164603D+01 -0.297220D+01  0.284984D+00 -0.893179D+01
      3   0.293895D+02 -0.340484D+01  0.558448D+00 -0.377063D+00 -0.100833D+01
      4  -0.156603D+01 -0.110213D+01  0.623794D+01  0.620616D+00  0.224213D+01
      5   0.721702D+01 -0.367037D+00  0.114873D+01  0.226429D+01  0.502149D+00
      6   0.427531D+01  0.767197D-01 -0.703984D+00 -0.480354D+00 -0.121580D+01
                86            87            88            89            90 
      1  -0.221159D+02 -0.289481D+01 -0.210998D+01  0.501079D+00 -0.447584D+01
      2   0.297522D+02  0.217232D+01  0.186293D+01 -0.101654D+01  0.222730D+01
      3  -0.763631D+01  0.722495D+00  0.247044D+00  0.515463D+00  0.224854D+01
      4   0.470893D+01  0.209866D+00  0.261531D+00 -0.681003D+00  0.598324D-01
      5  -0.958903D-01  0.187406D+00  0.805166D+00  0.464936D+00  0.219409D+00
      6   0.501488D+01  0.425774D+01 -0.165757D+01  0.469110D+01  0.780118D+00
                91            92            93            94            95 
      1  -0.127045D+02  0.537426D+01  0.191684D+01  0.132690D+02 -0.908306D+01
      2   0.989572D+01 -0.200906D+01 -0.327293D+01 -0.764079D+01  0.992431D+01
      3   0.280879D+01 -0.336521D+01  0.135609D+01 -0.562817D+01 -0.841251D+00
      4   0.173325D+01 -0.260345D+01  0.117313D+01  0.373429D+01  0.144467D+02
      5   0.377025D+01 -0.371005D-01 -0.392471D+01 -0.465149D+01 -0.288781D+01
      6   0.185905D+01 -0.281538D+00  0.532315D+00 -0.279980D+01 -0.470631D+01
                96            97            98            99           100 
      1  -0.702103D+00  0.146738D+01  0.289000D+01 -0.319874D+01  0.429618D+01
      2   0.649464D+00 -0.105906D+01 -0.228310D+01  0.117420D+01  0.194794D+01
      3   0.526394D-01 -0.408324D+00 -0.606899D+00  0.202455D+01 -0.624412D+01
      4  -0.496395D+01 -0.258719D+00 -0.235794D+01  0.238449D+01 -0.122297D+02
      5   0.584790D+01  0.167831D+01  0.246343D+01 -0.219747D+01 -0.175751D+01
      6   0.380547D+01  0.328496D+00  0.391675D+01 -0.404781D+01 -0.716938D+00
               101           102           103           104           105 
      1   0.875981D+01  0.228071D+01  0.844977D+00 -0.397590D+01 -0.491663D+00
      2  -0.127419D+02 -0.795239D+00 -0.439336D+01  0.745024D+01  0.171272D-01
      3   0.398206D+01 -0.148547D+01  0.354838D+01 -0.347434D+01  0.474536D+00
      4   0.823205D+01 -0.111427D+01  0.785426D+01 -0.822434D+01 -0.469731D+00
      5   0.476037D+00 -0.491705D+00  0.112933D+01 -0.678815D+00 -0.172924D+01
      6  -0.224272D+01 -0.386257D+01 -0.141182D+01  0.106524D+01  0.252447D+01
               106           107           108           109           110 
      1  -0.336475D+00  0.572796D+00 -0.163840D+01 -0.140909D+01 -0.281182D+01
      2   0.140342D+00 -0.101164D+01  0.704673D+00  0.156809D+01  0.292510D+01
      3   0.196133D+00  0.438841D+00  0.933722D+00 -0.158999D+00 -0.113280D+00
      4  -0.209117D+01 -0.472903D+00 -0.146946D+01  0.314875D+01  0.538632D+01
      5   0.163373D+01 -0.140534D+01 -0.683511D+00  0.230210D+01  0.304987D+01
      6   0.856638D-01  0.344633D+01 -0.433664D+00  0.391481D+01  0.488999D+01
               111           112           113           114           115 
      1  -0.212322D+01 -0.229719D+01 -0.131117D+02 -0.834769D+01 -0.358091D+01
      2   0.950412D+00  0.265898D+01  0.146871D+02  0.810571D+01  0.171762D+01
      3   0.117280D+01 -0.361784D+00 -0.157540D+01  0.241980D+00  0.186329D+01
      4   0.423216D+01  0.459614D+01  0.354969D+01  0.259793D+01  0.405453D+01
      5   0.424499D+01  0.135745D+01  0.216746D+01  0.161874D+01  0.398124D+01
      6   0.709811D+01  0.329636D+01  0.150973D+02  0.146822D+02  0.633639D+01
               116           117           118           119           120 
      1  -0.127679D+02 -0.133413D+02  0.617770D+01  0.320495D+01 -0.697277D+01
      2   0.100691D+02  0.641716D+01 -0.487019D+01 -0.141581D+01  0.416315D+01
      3   0.269883D+01  0.692414D+01 -0.130750D+01 -0.178914D+01  0.280962D+01
      4   0.427665D+01  0.493795D+01  0.310830D+01  0.409631D+01 -0.207584D+01
      5   0.308251D+01  0.425424D+01 -0.602583D+01 -0.182575D+01  0.122344D+02
      6   0.186842D+02  0.190863D+02 -0.234361D+01 -0.162367D+00  0.615190D+00
               121           122           123           124           125 
      1   0.268218D+01 -0.203835D+01  0.282206D+01 -0.784378D+01  0.726461D+00
      2  -0.224112D+01  0.154592D+01 -0.902636D+00  0.721824D+01  0.201457D+01
      3  -0.441060D+00  0.492430D+00 -0.191942D+01  0.625546D+00 -0.274103D+01
      4   0.513940D+01  0.370285D+01 -0.656002D+01 -0.573743D+01 -0.104558D+02
      5  -0.268330D+01 -0.573448D+01  0.154734D+02  0.157044D+02  0.142537D+02
      6  -0.966282D+00 -0.474314D+01  0.876377D+01  0.419901D+01  0.587659D+01
               126 
      1  -0.207745D+01
      2  -0.106765D+02
      3   0.127539D+02
      4   0.153673D+02
      5  -0.422136D+02
      6  -0.116431D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.162772D+01      0.413726D+01      0.138004D+02
   x         -0.115728D+01     -0.294151D+01     -0.981183D+01
   y          0.102436D+01      0.260366D+01      0.868487D+01
   z          0.510759D+00      0.129822D+01      0.433040D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.694050D+02      0.102848D+02      0.114433D+02
   aniso      0.243030D+02      0.360134D+01      0.400703D+01
   xx         0.839122D+02      0.124345D+02      0.138353D+02
   yx        -0.122661D+01     -0.181765D+00     -0.202241D+00
   yy         0.670541D+02      0.993639D+01      0.110557D+02
   zx        -0.245924D+01     -0.364421D+00     -0.405473D+00
   zy        -0.272874D+01     -0.404357D+00     -0.449908D+00
   zz         0.572487D+02      0.848339D+01      0.943904D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.767306D+02      0.113703D+02      0.126512D+02
   aniso      0.245627D+02      0.363981D+01      0.404984D+01
   xx         0.912064D+02      0.135154D+02      0.150379D+02
   yx        -0.922016D+00     -0.136629D+00     -0.152020D+00
   yy         0.751931D+02      0.111425D+02      0.123977D+02
   zx        -0.239305D+01     -0.354614D+00     -0.394561D+00
   zy        -0.220816D+01     -0.327215D+00     -0.364076D+00
   zz         0.637924D+02      0.945305D+01      0.105179D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.82992681         -0.76321035          0.06740847
    16         -3.19830674         -1.68851327          3.09337043
     6          1.01385873         -0.22063970          0.15831466
     7          1.57252553          1.81703023          1.93569086
     6          1.81414202          0.55229128         -2.52782806
     8          2.02784664         -0.94053087         -4.22122406
     8          2.15749463          3.04063192         -2.81271482
     1          2.00495558         -1.98395808          0.58473396
     1         -2.85410976          0.94613451         -0.46535396
     1         -2.20712236         -2.19930519         -1.35140168
     1          1.90825187          3.77108735         -1.12054047
     1          0.38983530          1.72216218          3.44292101
     1          3.36312192          1.69268140          2.60003611
     1         -1.91088265         -3.86324867          3.34998210

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.162772D+01      0.413726D+01      0.138004D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.162772D+01      0.413726D+01      0.138004D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.694050D+02      0.102848D+02      0.114433D+02
   aniso      0.243030D+02      0.360134D+01      0.400703D+01
   xx         0.644917D+02      0.955669D+01      0.106332D+02
   yx         0.683641D+01      0.101305D+01      0.112717D+01
   yy         0.679957D+02      0.100759D+02      0.112110D+02
   zx        -0.104838D+02     -0.155354D+01     -0.172854D+01
   zy        -0.267999D+01     -0.397134D+00     -0.441871D+00
   zz         0.757276D+02      0.112217D+02      0.124858D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.767306D+02      0.113703D+02      0.126512D+02
   aniso      0.245627D+02      0.363981D+01      0.404984D+01
   xx         0.719421D+02      0.106607D+02      0.118617D+02
   yx         0.767684D+01      0.113759D+01      0.126574D+01
   yy         0.750638D+02      0.111233D+02      0.123763D+02
   zx        -0.101581D+02     -0.150527D+01     -0.167484D+01
   zy        -0.230173D+01     -0.341081D+00     -0.379504D+00
   zz         0.831859D+02      0.123269D+02      0.137155D+02

 ----------------------------------------------------------------------
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 I do not feel obliged to believe that the same God who
 has endowed us with sense, reason, and intellect has
 intended us to forgo their use.
                   --Galileo Galilei
 Job cpu time:       0 days  1 hours 23 minutes 11.9 seconds.
 Elapsed time:       0 days  0 hours 10 minutes 26.5 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:16:12 2021.
